Changeset 5332


Ignore:
Timestamp:
Sep 11, 2022 10:12:53 AM (9 months ago)
Author:
vondreele
Message:

fix bugs & make changes to Cluster Analysis stuff & add new help text for it.

Location:
trunk
Files:
5 edited

Legend:

Unmodified
Added
Removed

  • trunk/GSASIIdataGUI.py

    r5323 r5332  
    80838083        elif G2frame.GPXtree.GetItemText(item) == 'Cluster Analysis':
    80848084            data = G2frame.GPXtree.GetItemPyData(item)
     8085            G2frame.dataWindow.helpKey = 'Cluster Analysis'
    80858086            G2seq.UpdateClusterAnalysis(G2frame,data)
    80868087        elif G2frame.GPXtree.GetItemText(item) == 'Restraints':

  • trunk/GSASIIplot.py

    r5323 r5332  
    1157311573    :param array YM: data matrix; plotted as contour
    1157411574    :param array XYZ: array of 3D PCA coordinates; plotted as 3D scatter plot
    11575     ;param dict CLuDict: Cluster info; may have dendogram & Kmeans results
     11575    ;param dict CLuDict: Cluster info; may have dendrogram & Kmeans results
    1157611576    :param str Title: plot title
    1157711577    :param str PlotName: plot tab name
    … …  
    1161611616    Imin = np.min(YM)
    1161711617    Imax = np.max(YM)
    11618     if CLuDict['CLuZ'] is None and CLuDict['plots'] == 'Dendogram':
     11618    if CLuDict['CLuZ'] is None and CLuDict['plots'] == 'Dendrogram':
    1161911619        CLuDict['plots'] = 'All'
    1162011620    if CLuDict['plots'] == 'Distances':
    … …  
    1162611626        Plot.set_xlabel('Data set',fontsize=12)
    1162711627        Plot.set_ylabel('Data set',fontsize=12)
    11628     elif CLuDict['plots'] == 'Dendogram':
     11628    elif CLuDict['plots'] == 'Dendrogram':
    1162911629        CLR = SCH.dendrogram(CLuDict['CLuZ'],orientation='right',ax=Plot)
    1163011630        Plot.set_title('%s %s'%(CLuDict['LinkMethod'],Title))
    … …  
    1167211672            CLR = SCH.dendrogram(CLuDict['CLuZ'],orientation='right',ax=ax3)
    1167311673            ax3.set_title('%s %s'%(CLuDict['LinkMethod'],Title))
    11674             ax3.set_xlabel(r''+'data set no.',fontsize=12)
    11675             ax3.set_ylabel(r''+CLuDict['Method']+' distance',fontsize=12)
     11674            ax3.set_ylabel(r''+'data set no.',fontsize=12)
     11675            ax3.set_xlabel(r''+CLuDict['Method']+' distance',fontsize=12)
    1167611676            ax4.plot(100.*CLuDict['PCA'][:10]/np.sum(CLuDict['PCA']))
    1167711677            ax4.set_xlabel('PCA index',fontsize=12)

  • trunk/GSASIIseqGUI.py

    r5331 r5332  
    17311731           
    17321732        def OnCompute(event):
    1733             ClusData['ConDistMat'] = SSD.pdist(ClusData['DataMatrix'],ClusData['Method'])
     1733            if 'minkowski' in ClusData['Method']:
     1734                ClusData['ConDistMat'] = SSD.pdist(ClusData['DataMatrix'],ClusData['Method'],p=int(ClusData['MinkP']))
     1735            else:
     1736                ClusData['ConDistMat'] = SSD.pdist(ClusData['DataMatrix'],ClusData['Method'])
     1737            wx.CallAfter(UpdateClusterAnalysis,G2frame,ClusData)
     1738           
     1739        def OnExponent(event):
     1740            ClusData['MinkP'] = minp.GetValue()
     1741            ClusData['ConDistMat'] = []
     1742            ClusData['CLuZ'] = None
     1743            OnCompute(event)
    17341744            wx.CallAfter(UpdateClusterAnalysis,G2frame,ClusData)
    17351745       
    … …  
    17421752        method.Bind(wx.EVT_COMBOBOX, OnClusterMethod)
    17431753        methsizer.Add(method,0,WACV)
     1754        if 'minkowski' in ClusData['Method']:
     1755            methsizer.Add(wx.StaticText(G2frame.dataWindow,label=' exponent: '),0,WACV)
     1756            choicep = ['1','2','3','4','10']
     1757            minp = wx.ComboBox(G2frame.dataWindow,choices=choicep,style=wx.CB_READONLY|wx.CB_DROPDOWN)
     1758            minp.SetValue(ClusData['MinkP'])
     1759            minp.Bind(wx.EVT_COMBOBOX, OnExponent)
     1760            methsizer.Add(minp,0,WACV)
    17441761        compute = wx.Button(G2frame.dataWindow,label='Compute distance matrix')
    17451762        compute.Bind(wx.EVT_BUTTON,OnCompute)
    … …  
    18261843                print('Number of Mean-shift clusters found: %d'%(np.max(result.labels_)+1))
    18271844            elif ClusData['Scikit'] == 'Affinity propagation':
    1828                 result = SKC.AffinityPropagation(affinity='precomputed').fit(SSD.squareform(ClusData['ConDistMat']))
     1845                result = SKC.AffinityPropagation(affinity='precomputed',damping=0.5).fit(SSD.squareform(ClusData['ConDistMat']))
    18291846                print('Number of Affinity propagation clusters found: %d'%(np.max(result.labels_)+1))
    18301847            elif ClusData['Scikit'] == 'Agglomerative clustering':
    … …  
    18531870        choice = ['K-Means','Affinity propagation','Mean-shift','Spectral clustering','Agglomerative clustering']
    18541871        clusSizer = wx.BoxSizer(wx.HORIZONTAL)
    1855         clusSizer.Add(wx.StaticText(G2frame.dataWindow,label='Select clusering method: '),0,WACV)
     1872        clusSizer.Add(wx.StaticText(G2frame.dataWindow,label='Select clustering method: '),0,WACV)
    18561873        clusMethod = wx.ComboBox(G2frame.dataWindow,choices=choice,style=wx.CB_READONLY|wx.CB_DROPDOWN)
    18571874        clusMethod.SetValue(ClusData['Scikit'])
    … …  
    18701887        scikitSizer.Add(clusSizer)
    18711888        useTxt = '%s used the whitened data matrix'%ClusData['Scikit']
    1872         if ClusData['Scikit'] in ['Spectral clustering','Agglomerative clustering']:
     1889        if ClusData['Scikit'] in ['Agglomerative clustering','Affinity propagation']:
    18731890            useTxt = '%s used %s for distance method'%(ClusData['Scikit'],ClusData['Method'])
    18741891        scikitSizer.Add(wx.StaticText(G2frame.dataWindow,label=useTxt))
    … …  
    19731990    ClusData['Scikit'] = ClusData.get('Scikit','K-Means')
    19741991    ClusData['OutMethod'] = ClusData.get('OutMethod','Isolation Forest')
     1992    ClusData['MinkP'] = ClusData.get('MinkP','2')
    19751993    #end patch
    19761994    G2frame.dataWindow.ClearData()
    … …  
    20272045                choice = ['All','Distances','3D PCA',]
    20282046            else:
    2029                 choice = ['All','Distances','Dendogram','3D PCA',]
     2047                choice = ['All','Distances','Dendrogram','3D PCA',]
    20302048            plotsel = wx.ComboBox(G2frame.dataWindow,choices=choice,style=wx.CB_READONLY|wx.CB_DROPDOWN)
    20312049            plotsel.SetValue(str(ClusData['plots']))
    … …  
    20462064            G2G.HorizontalLine(mainSizer,G2frame.dataWindow)
    20472065            mainSizer.Add(outlierSizer())
    2048             Nout = len(ClusData['codes'])-np.count_nonzero(ClusData['codes']+1)
     2066            Nout = 0
     2067            if ClusData['codes'] is not None:
     2068                Nout = len(ClusData['codes'])-np.count_nonzero(ClusData['codes']+1)
    20492069            if Nout > 0:
    20502070                mainSizer.Add(wx.StaticText(G2frame.dataWindow,
    … …  
    20622082    bigSizer.Add(mainSizer)
    20632083       
    2064     bigSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex='Cluster Analysis'))
     2084    bigSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))
    20652085    bigSizer.Layout()
    20662086    bigSizer.FitInside(G2frame.dataWindow)

  • trunk/help/gsasII.html

    r5317 r5332  
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele, Robert B.</o:LastAuthor>
    27   <o:Revision>199</o:Revision>
    28   <o:TotalTime>6789</o:TotalTime>
     27  <o:Revision>222</o:Revision>
     28  <o:TotalTime>7991</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2022-04-14T14:05:00Z</o:LastSaved>
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     30  <o:LastSaved>2022-09-09T19:03:00Z</o:LastSaved>
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    3434  <o:Company>Argonne National Laboratory</o:Company>
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    … …  
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    3240 @list l29:level9
    3241         {mso-level-number-format:bullet;
    3242         mso-level-text:;
    3243         mso-level-tab-stop:none;
    3244         mso-level-number-position:left;
    3245         text-indent:-.25in;
    3246         font-family:Wingdings;}
    3247 @list l30
     3316@list l30:level9
     3317        {mso-level-number-format:bullet;
     3318        mso-level-text:;
     3319        mso-level-tab-stop:none;
     3320        mso-level-number-position:left;
     3321        text-indent:-.25in;
     3322        font-family:Wingdings;}
     3323@list l31
    32483324        {mso-list-id:1040134479;
    32493325        mso-list-template-ids:1471328814;}
    3250 @list l30:level1
     3326@list l31:level1
    32513327        {mso-level-number-format:bullet;
    32523328        mso-level-text:;
    … …  
    32553331        text-indent:-.25in;
    32563332        font-family:Symbol;}
    3257 @list l30:level2
     3333@list l31:level2
    32583334        {mso-level-number-format:bullet;
    32593335        mso-level-text:;
    … …  
    32653341        mso-ansi-font-weight:normal;
    32663342        mso-ansi-font-style:normal;}
    3267 @list l30:level3
     3343@list l31:level3
    32683344        {mso-level-tab-stop:1.5in;
    32693345        mso-level-number-position:left;
    32703346        text-indent:-.25in;}
    3271 @list l30:level4
     3347@list l31:level4
    32723348        {mso-level-tab-stop:2.0in;
    32733349        mso-level-number-position:left;
    32743350        text-indent:-.25in;}
    3275 @list l30:level5
     3351@list l31:level5
    32763352        {mso-level-tab-stop:2.5in;
    32773353        mso-level-number-position:left;
    32783354        text-indent:-.25in;}
    3279 @list l30:level6
     3355@list l31:level6
    32803356        {mso-level-tab-stop:3.0in;
    32813357        mso-level-number-position:left;
    32823358        text-indent:-.25in;}
    3283 @list l30:level7
     3359@list l31:level7
    32843360        {mso-level-tab-stop:3.5in;
    32853361        mso-level-number-position:left;
    32863362        text-indent:-.25in;}
    3287 @list l30:level8
     3363@list l31:level8
    32883364        {mso-level-tab-stop:4.0in;
    32893365        mso-level-number-position:left;
    32903366        text-indent:-.25in;}
    3291 @list l30:level9
     3367@list l31:level9
    32923368        {mso-level-tab-stop:4.5in;
    32933369        mso-level-number-position:left;
    32943370        text-indent:-.25in;}
    3295 @list l31
     3371@list l32
    32963372        {mso-list-id:1068959235;
    32973373        mso-list-type:hybrid;
    32983374        mso-list-template-ids:682254666 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3299 @list l31:level1
     3375@list l32:level1
    33003376        {mso-level-number-format:bullet;
    33013377        mso-level-text:;
    … …  
    33053381        text-indent:-.25in;
    33063382        font-family:Symbol;}
    3307 @list l31:level2
     3383@list l32:level2
    33083384        {mso-level-number-format:bullet;
    33093385        mso-level-text:o;
    … …  
    33133389        text-indent:-.25in;
    33143390        font-family:"Courier New";}
    3315 @list l31:level3
     3391@list l32:level3
    33163392        {mso-level-number-format:bullet;
    33173393        mso-level-text:;
    … …  
    33213397        text-indent:-.25in;
    33223398        font-family:Wingdings;}
    3323 @list l31:level4
     3399@list l32:level4
    33243400        {mso-level-number-format:bullet;
    33253401        mso-level-text:;
    … …  
    33293405        text-indent:-.25in;
    33303406        font-family:Symbol;}
    3331 @list l31:level5
     3407@list l32:level5
    33323408        {mso-level-number-format:bullet;
    33333409        mso-level-text:o;
    … …  
    33373413        text-indent:-.25in;
    33383414        font-family:"Courier New";}
    3339 @list l31:level6
     3415@list l32:level6
    33403416        {mso-level-number-format:bullet;
    33413417        mso-level-text:;
    … …  
    33453421        text-indent:-.25in;
    33463422        font-family:Wingdings;}
    3347 @list l31:level7
     3423@list l32:level7
    33483424        {mso-level-number-format:bullet;
    33493425        mso-level-text:;
    … …  
    33533429        text-indent:-.25in;
    33543430        font-family:Symbol;}
    3355 @list l31:level8
     3431@list l32:level8
    33563432        {mso-level-number-format:bullet;
    33573433        mso-level-text:o;
    … …  
    33613437        text-indent:-.25in;
    33623438        font-family:"Courier New";}
    3363 @list l31:level9
     3439@list l32:level9
    33643440        {mso-level-number-format:bullet;
    33653441        mso-level-text:;
    … …  
    33693445        text-indent:-.25in;
    33703446        font-family:Wingdings;}
    3371 @list l32
     3447@list l33
    33723448        {mso-list-id:1109549855;
    33733449        mso-list-template-ids:244079786;}
    3374 @list l32:level1
     3450@list l33:level1
    33753451        {mso-level-number-format:bullet;
    33763452        mso-level-text:;
    … …  
    33793455        text-indent:-.25in;
    33803456        font-family:Symbol;}
    3381 @list l32:level2
     3457@list l33:level2
    33823458        {mso-level-number-format:bullet;
    33833459        mso-level-text:;
    … …  
    33893465        mso-ansi-font-weight:normal;
    33903466        mso-ansi-font-style:normal;}
    3391 @list l32:level3
     3467@list l33:level3
    33923468        {mso-level-tab-stop:1.5in;
    33933469        mso-level-number-position:left;
    33943470        text-indent:-.25in;}
    3395 @list l32:level4
     3471@list l33:level4
    33963472        {mso-level-tab-stop:2.0in;
    33973473        mso-level-number-position:left;
    33983474        text-indent:-.25in;}
    3399 @list l32:level5
     3475@list l33:level5
    34003476        {mso-level-tab-stop:2.5in;
    34013477        mso-level-number-position:left;
    34023478        text-indent:-.25in;}
    3403 @list l32:level6
     3479@list l33:level6
    34043480        {mso-level-tab-stop:3.0in;
    34053481        mso-level-number-position:left;
    34063482        text-indent:-.25in;}
    3407 @list l32:level7
     3483@list l33:level7
    34083484        {mso-level-tab-stop:3.5in;
    34093485        mso-level-number-position:left;
    34103486        text-indent:-.25in;}
    3411 @list l32:level8
     3487@list l33:level8
    34123488        {mso-level-tab-stop:4.0in;
    34133489        mso-level-number-position:left;
    34143490        text-indent:-.25in;}
    3415 @list l32:level9
     3491@list l33:level9
    34163492        {mso-level-tab-stop:4.5in;
    34173493        mso-level-number-position:left;
    34183494        text-indent:-.25in;}
    3419 @list l33
     3495@list l34
    34203496        {mso-list-id:1231303444;
    34213497        mso-list-type:hybrid;
    34223498        mso-list-template-ids:-1999715836 67698689 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    3423 @list l33:level1
     3499@list l34:level1
    34243500        {mso-level-number-format:bullet;
    34253501        mso-level-text:;
    … …  
    34303506        font-family:Symbol;
    34313507        mso-ansi-font-weight:normal;}
    3432 @list l33:level2
     3508@list l34:level2
    34333509        {mso-level-tab-stop:1.0in;
    34343510        mso-level-number-position:left;
    34353511        text-indent:-.25in;}
    3436 @list l33:level3
     3512@list l34:level3
    34373513        {mso-level-tab-stop:112.5pt;
    34383514        mso-level-number-position:left;
    34393515        margin-left:112.5pt;
    34403516        text-indent:-.25in;}
    3441 @list l33:level4
     3517@list l34:level4
    34423518        {mso-level-tab-stop:2.0in;
    34433519        mso-level-number-position:left;
    34443520        text-indent:-.25in;}
    3445 @list l33:level5
     3521@list l34:level5
    34463522        {mso-level-tab-stop:2.5in;
    34473523        mso-level-number-position:left;
    34483524        text-indent:-.25in;}
    3449 @list l33:level6
     3525@list l34:level6
    34503526        {mso-level-tab-stop:3.0in;
    34513527        mso-level-number-position:left;
    34523528        text-indent:-.25in;}
    3453 @list l33:level7
     3529@list l34:level7
    34543530        {mso-level-tab-stop:3.5in;
    34553531        mso-level-number-position:left;
    34563532        text-indent:-.25in;}
    3457 @list l33:level8
     3533@list l34:level8
    34583534        {mso-level-tab-stop:4.0in;
    34593535        mso-level-number-position:left;
    34603536        text-indent:-.25in;}
    3461 @list l33:level9
     3537@list l34:level9
    34623538        {mso-level-tab-stop:4.5in;
    34633539        mso-level-number-position:left;
    34643540        text-indent:-.25in;}
    3465 @list l34
     3541@list l35
    34663542        {mso-list-id:1281499821;
    34673543        mso-list-template-ids:349610142;}
    3468 @list l34:level1
     3544@list l35:level1
    34693545        {mso-level-number-format:bullet;
    34703546        mso-level-text:;
    … …  
    34733549        text-indent:-.25in;
    34743550        font-family:Symbol;}
    3475 @list l34:level2
     3551@list l35:level2
    34763552        {mso-level-number-format:bullet;
    34773553        mso-level-text:;
    … …  
    34813557        mso-ansi-font-size:10.0pt;
    34823558        font-family:Symbol;}
    3483 @list l34:level3
     3559@list l35:level3
    34843560        {mso-level-tab-stop:1.5in;
    34853561        mso-level-number-position:left;
    34863562        text-indent:-.25in;}
    3487 @list l34:level4
     3563@list l35:level4
    34883564        {mso-level-tab-stop:2.0in;
    34893565        mso-level-number-position:left;
    34903566        text-indent:-.25in;}
    3491 @list l34:level5
     3567@list l35:level5
    34923568        {mso-level-tab-stop:2.5in;
    34933569        mso-level-number-position:left;
    34943570        text-indent:-.25in;}
    3495 @list l34:level6
     3571@list l35:level6
    34963572        {mso-level-tab-stop:3.0in;
    34973573        mso-level-number-position:left;
    34983574        text-indent:-.25in;}
    3499 @list l34:level7
     3575@list l35:level7
    35003576        {mso-level-tab-stop:3.5in;
    35013577        mso-level-number-position:left;
    35023578        text-indent:-.25in;}
    3503 @list l34:level8
     3579@list l35:level8
    35043580        {mso-level-tab-stop:4.0in;
    35053581        mso-level-number-position:left;
    35063582        text-indent:-.25in;}
    3507 @list l34:level9
     3583@list l35:level9
    35083584        {mso-level-tab-stop:4.5in;
    35093585        mso-level-number-position:left;
    35103586        text-indent:-.25in;}
    3511 @list l35
     3587@list l36
    35123588        {mso-list-id:1394309879;
    35133589        mso-list-template-ids:1264741566;}
    3514 @list l35:level1
     3590@list l36:level1
    35153591        {mso-level-start-at:2;
    35163592        mso-level-tab-stop:none;
    … …  
    35183594        margin-left:.25in;
    35193595        text-indent:-.25in;}
    3520 @list l35:level2
     3596@list l36:level2
    35213597        {mso-level-number-format:alpha-lower;
    35223598        mso-level-tab-stop:.75in;
    … …  
    35283604        mso-ansi-font-weight:normal;
    35293605        mso-ansi-font-style:normal;}
    3530 @list l35:level3
     3606@list l36:level3
    35313607        {mso-level-tab-stop:1.25in;
    35323608        mso-level-number-position:left;
    35333609        margin-left:1.25in;
    35343610        text-indent:-.25in;}
    3535 @list l35:level4
     3611@list l36:level4
    35363612        {mso-level-number-format:alpha-lower;
    35373613        mso-level-tab-stop:1.75in;
    … …  
    35393615        margin-left:1.75in;
    35403616        text-indent:-.25in;}
    3541 @list l35:level5
     3617@list l36:level5
    35423618        {mso-level-tab-stop:2.25in;
    35433619        mso-level-number-position:left;
    35443620        margin-left:2.25in;
    35453621        text-indent:-.25in;}
    3546 @list l35:level6
     3622@list l36:level6
    35473623        {mso-level-tab-stop:2.75in;
    35483624        mso-level-number-position:left;
    35493625        margin-left:2.75in;
    35503626        text-indent:-.25in;}
    3551 @list l35:level7
     3627@list l36:level7
    35523628        {mso-level-tab-stop:3.25in;
    35533629        mso-level-number-position:left;
    35543630        margin-left:3.25in;
    35553631        text-indent:-.25in;}
    3556 @list l35:level8
     3632@list l36:level8
    35573633        {mso-level-tab-stop:3.75in;
    35583634        mso-level-number-position:left;
    35593635        margin-left:3.75in;
    35603636        text-indent:-.25in;}
    3561 @list l35:level9
     3637@list l36:level9
    35623638        {mso-level-tab-stop:4.25in;
    35633639        mso-level-number-position:left;
    35643640        margin-left:4.25in;
    35653641        text-indent:-.25in;}
    3566 @list l36
     3642@list l37
    35673643        {mso-list-id:1415325662;
    35683644        mso-list-type:hybrid;
    35693645        mso-list-template-ids:-1594983590 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3570 @list l36:level1
     3646@list l37:level1
    35713647        {mso-level-number-format:bullet;
    35723648        mso-level-text:;
    … …  
    35753651        text-indent:-.25in;
    35763652        font-family:Symbol;}
    3577 @list l36:level2
     3653@list l37:level2
    35783654        {mso-level-number-format:bullet;
    35793655        mso-level-text:o;
    … …  
    35823658        text-indent:-.25in;
    35833659        font-family:"Courier New";}
    3584 @list l36:level3
    3585         {mso-level-number-format:bullet;
    3586         mso-level-text:;
    3587         mso-level-tab-stop:none;
    3588         mso-level-number-position:left;
    3589         text-indent:-.25in;
    3590         font-family:Wingdings;}
    3591 @list l36:level4
     3660@list l37:level3
     3661        {mso-level-number-format:bullet;
     3662        mso-level-text:;
     3663        mso-level-tab-stop:none;
     3664        mso-level-number-position:left;
     3665        text-indent:-.25in;
     3666        font-family:Wingdings;}
     3667@list l37:level4
    35923668        {mso-level-number-format:bullet;
    35933669        mso-level-text:;
    … …  
    35963672        text-indent:-.25in;
    35973673        font-family:Symbol;}
    3598 @list l36:level5
     3674@list l37:level5
    35993675        {mso-level-number-format:bullet;
    36003676        mso-level-text:o;
    … …  
    36033679        text-indent:-.25in;
    36043680        font-family:"Courier New";}
    3605 @list l36:level6
    3606         {mso-level-number-format:bullet;
    3607         mso-level-text:;
    3608         mso-level-tab-stop:none;
    3609         mso-level-number-position:left;
    3610         text-indent:-.25in;
    3611         font-family:Wingdings;}
    3612 @list l36:level7
     3681@list l37:level6
     3682        {mso-level-number-format:bullet;
     3683        mso-level-text:;
     3684        mso-level-tab-stop:none;
     3685        mso-level-number-position:left;
     3686        text-indent:-.25in;
     3687        font-family:Wingdings;}
     3688@list l37:level7
    36133689        {mso-level-number-format:bullet;
    36143690        mso-level-text:;
    … …  
    36173693        text-indent:-.25in;
    36183694        font-family:Symbol;}
    3619 @list l36:level8
     3695@list l37:level8
    36203696        {mso-level-number-format:bullet;
    36213697        mso-level-text:o;
    … …  
    36243700        text-indent:-.25in;
    36253701        font-family:"Courier New";}
    3626 @list l36:level9
    3627         {mso-level-number-format:bullet;
    3628         mso-level-text:;
    3629         mso-level-tab-stop:none;
    3630         mso-level-number-position:left;
    3631         text-indent:-.25in;
    3632         font-family:Wingdings;}
    3633 @list l37
     3702@list l37:level9
     3703        {mso-level-number-format:bullet;
     3704        mso-level-text:;
     3705        mso-level-tab-stop:none;
     3706        mso-level-number-position:left;
     3707        text-indent:-.25in;
     3708        font-family:Wingdings;}
     3709@list l38
    36343710        {mso-list-id:1463232251;
    36353711        mso-list-type:hybrid;
    36363712        mso-list-template-ids:-1222108178 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3637 @list l37:level1
     3713@list l38:level1
    36383714        {mso-level-number-format:bullet;
    36393715        mso-level-text:;
    … …  
    36423718        text-indent:-.25in;
    36433719        font-family:Symbol;}
    3644 @list l37:level2
     3720@list l38:level2
    36453721        {mso-level-number-format:bullet;
    36463722        mso-level-text:o;
    … …  
    36493725        text-indent:-.25in;
    36503726        font-family:"Courier New";}
    3651 @list l37:level3
    3652         {mso-level-number-format:bullet;
    3653         mso-level-text:;
    3654         mso-level-tab-stop:none;
    3655         mso-level-number-position:left;
    3656         text-indent:-.25in;
    3657         font-family:Wingdings;}
    3658 @list l37:level4
     3727@list l38:level3
     3728        {mso-level-number-format:bullet;
     3729        mso-level-text:;
     3730        mso-level-tab-stop:none;
     3731        mso-level-number-position:left;
     3732        text-indent:-.25in;
     3733        font-family:Wingdings;}
     3734@list l38:level4
    36593735        {mso-level-number-format:bullet;
    36603736        mso-level-text:;
    … …  
    36633739        text-indent:-.25in;
    36643740        font-family:Symbol;}
    3665 @list l37:level5
     3741@list l38:level5
    36663742        {mso-level-number-format:bullet;
    36673743        mso-level-text:o;
    … …  
    36703746        text-indent:-.25in;
    36713747        font-family:"Courier New";}
    3672 @list l37:level6
    3673         {mso-level-number-format:bullet;
    3674         mso-level-text:;
    3675         mso-level-tab-stop:none;
    3676         mso-level-number-position:left;
    3677         text-indent:-.25in;
    3678         font-family:Wingdings;}
    3679 @list l37:level7
     3748@list l38:level6
     3749        {mso-level-number-format:bullet;
     3750        mso-level-text:;
     3751        mso-level-tab-stop:none;
     3752        mso-level-number-position:left;
     3753        text-indent:-.25in;
     3754        font-family:Wingdings;}
     3755@list l38:level7
    36803756        {mso-level-number-format:bullet;
    36813757        mso-level-text:;
    … …  
    36843760        text-indent:-.25in;
    36853761        font-family:Symbol;}
    3686 @list l37:level8
     3762@list l38:level8
    36873763        {mso-level-number-format:bullet;
    36883764        mso-level-text:o;
    … …  
    36913767        text-indent:-.25in;
    36923768        font-family:"Courier New";}
    3693 @list l37:level9
    3694         {mso-level-number-format:bullet;
    3695         mso-level-text:;
    3696         mso-level-tab-stop:none;
    3697         mso-level-number-position:left;
    3698         text-indent:-.25in;
    3699         font-family:Wingdings;}
    3700 @list l38
     3769@list l38:level9
     3770        {mso-level-number-format:bullet;
     3771        mso-level-text:;
     3772        mso-level-tab-stop:none;
     3773        mso-level-number-position:left;
     3774        text-indent:-.25in;
     3775        font-family:Wingdings;}
     3776@list l39
     3777        {mso-list-id:1464540008;
     3778        mso-list-type:hybrid;
     3779        mso-list-template-ids:469108572 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3780@list l39:level1
     3781        {mso-level-number-format:bullet;
     3782        mso-level-text:;
     3783        mso-level-tab-stop:none;
     3784        mso-level-number-position:left;
     3785        text-indent:-.25in;
     3786        font-family:Symbol;}
     3787@list l39:level2
     3788        {mso-level-number-format:bullet;
     3789        mso-level-text:o;
     3790        mso-level-tab-stop:none;
     3791        mso-level-number-position:left;
     3792        text-indent:-.25in;
     3793        font-family:"Courier New";}
     3794@list l39:level3
     3795        {mso-level-number-format:bullet;
     3796        mso-level-text:;
     3797        mso-level-tab-stop:none;
     3798        mso-level-number-position:left;
     3799        text-indent:-.25in;
     3800        font-family:Wingdings;}
     3801@list l39:level4
     3802        {mso-level-number-format:bullet;
     3803        mso-level-text:;
     3804        mso-level-tab-stop:none;
     3805        mso-level-number-position:left;
     3806        text-indent:-.25in;
     3807        font-family:Symbol;}
     3808@list l39:level5
     3809        {mso-level-number-format:bullet;
     3810        mso-level-text:o;
     3811        mso-level-tab-stop:none;
     3812        mso-level-number-position:left;
     3813        text-indent:-.25in;
     3814        font-family:"Courier New";}
     3815@list l39:level6
     3816        {mso-level-number-format:bullet;
     3817        mso-level-text:;
     3818        mso-level-tab-stop:none;
     3819        mso-level-number-position:left;
     3820        text-indent:-.25in;
     3821        font-family:Wingdings;}
     3822@list l39:level7
     3823        {mso-level-number-format:bullet;
     3824        mso-level-text:;
     3825        mso-level-tab-stop:none;
     3826        mso-level-number-position:left;
     3827        text-indent:-.25in;
     3828        font-family:Symbol;}
     3829@list l39:level8
     3830        {mso-level-number-format:bullet;
     3831        mso-level-text:o;
     3832        mso-level-tab-stop:none;
     3833        mso-level-number-position:left;
     3834        text-indent:-.25in;
     3835        font-family:"Courier New";}
     3836@list l39:level9
     3837        {mso-level-number-format:bullet;
     3838        mso-level-text:;
     3839        mso-level-tab-stop:none;
     3840        mso-level-number-position:left;
     3841        text-indent:-.25in;
     3842        font-family:Wingdings;}
     3843@list l40
    37013844        {mso-list-id:1510100798;
    37023845        mso-list-template-ids:-16363168;}
    3703 @list l38:level1
     3846@list l40:level1
    37043847        {mso-level-tab-stop:.25in;
    37053848        mso-level-number-position:left;
    37063849        margin-left:.25in;
    37073850        text-indent:-.25in;}
    3708 @list l38:level2
     3851@list l40:level2
    37093852        {mso-level-number-format:bullet;
    37103853        mso-level-text:;
    … …  
    37173860        mso-ansi-font-weight:normal;
    37183861        mso-ansi-font-style:normal;}
    3719 @list l38:level3
     3862@list l40:level3
    37203863        {mso-level-tab-stop:1.25in;
    37213864        mso-level-number-position:left;
    37223865        margin-left:1.25in;
    37233866        text-indent:-.25in;}
    3724 @list l38:level4
     3867@list l40:level4
    37253868        {mso-level-tab-stop:1.75in;
    37263869        mso-level-number-position:left;
    37273870        margin-left:1.75in;
    37283871        text-indent:-.25in;}
    3729 @list l38:level5
     3872@list l40:level5
    37303873        {mso-level-tab-stop:2.25in;
    37313874        mso-level-number-position:left;
    37323875        margin-left:2.25in;
    37333876        text-indent:-.25in;}
    3734 @list l38:level6
     3877@list l40:level6
    37353878        {mso-level-tab-stop:2.75in;
    37363879        mso-level-number-position:left;
    37373880        margin-left:2.75in;
    37383881        text-indent:-.25in;}
    3739 @list l38:level7
     3882@list l40:level7
    37403883        {mso-level-tab-stop:3.25in;
    37413884        mso-level-number-position:left;
    37423885        margin-left:3.25in;
    37433886        text-indent:-.25in;}
    3744 @list l38:level8
     3887@list l40:level8
    37453888        {mso-level-tab-stop:3.75in;
    37463889        mso-level-number-position:left;
    37473890        margin-left:3.75in;
    37483891        text-indent:-.25in;}
    3749 @list l38:level9
     3892@list l40:level9
    37503893        {mso-level-tab-stop:4.25in;
    37513894        mso-level-number-position:left;
    37523895        margin-left:4.25in;
    37533896        text-indent:-.25in;}
    3754 @list l39
     3897@list l41
    37553898        {mso-list-id:1559706126;
    37563899        mso-list-template-ids:-582595398;}
    3757 @list l39:level1
     3900@list l41:level1
    37583901        {mso-level-number-format:bullet;
    37593902        mso-level-text:;
    … …  
    37623905        text-indent:-.25in;
    37633906        font-family:Symbol;}
    3764 @list l39:level2
     3907@list l41:level2
    37653908        {mso-level-tab-stop:1.0in;
    37663909        mso-level-number-position:left;
    37673910        text-indent:-.25in;}
    3768 @list l39:level3
     3911@list l41:level3
    37693912        {mso-level-tab-stop:1.5in;
    37703913        mso-level-number-position:left;
    37713914        text-indent:-.25in;}
    3772 @list l39:level4
     3915@list l41:level4
    37733916        {mso-level-tab-stop:2.0in;
    37743917        mso-level-number-position:left;
    37753918        text-indent:-.25in;}
    3776 @list l39:level5
     3919@list l41:level5
    37773920        {mso-level-tab-stop:2.5in;
    37783921        mso-level-number-position:left;
    37793922        text-indent:-.25in;}
    3780 @list l39:level6
     3923@list l41:level6
    37813924        {mso-level-tab-stop:3.0in;
    37823925        mso-level-number-position:left;
    37833926        text-indent:-.25in;}
    3784 @list l39:level7
     3927@list l41:level7
    37853928        {mso-level-tab-stop:3.5in;
    37863929        mso-level-number-position:left;
    37873930        text-indent:-.25in;}
    3788 @list l39:level8
     3931@list l41:level8
    37893932        {mso-level-tab-stop:4.0in;
    37903933        mso-level-number-position:left;
    37913934        text-indent:-.25in;}
    3792 @list l39:level9
     3935@list l41:level9
    37933936        {mso-level-tab-stop:4.5in;
    37943937        mso-level-number-position:left;
    37953938        text-indent:-.25in;}
    3796 @list l40
    3797         {mso-list-id:1580553544;
    3798         mso-list-template-ids:-615735862;}
    3799 @list l40:level1
    3800         {mso-level-tab-stop:.5in;
    3801         mso-level-number-position:left;
    3802         text-indent:-.25in;}
    3803 @list l40:level2
    3804         {mso-level-tab-stop:1.0in;
    3805         mso-level-number-position:left;
    3806         text-indent:-.25in;}
    3807 @list l40:level3
    3808         {mso-level-tab-stop:1.5in;
    3809         mso-level-number-position:left;
    3810         text-indent:-.25in;}
    3811 @list l40:level4
    3812         {mso-level-tab-stop:2.0in;
    3813         mso-level-number-position:left;
    3814         text-indent:-.25in;}
    3815 @list l40:level5
    3816         {mso-level-tab-stop:2.5in;
    3817         mso-level-number-position:left;
    3818         text-indent:-.25in;}
    3819 @list l40:level6
    3820         {mso-level-tab-stop:3.0in;
    3821         mso-level-number-position:left;
    3822         text-indent:-.25in;}
    3823 @list l40:level7
    3824         {mso-level-tab-stop:3.5in;
    3825         mso-level-number-position:left;
    3826         text-indent:-.25in;}
    3827 @list l40:level8
    3828         {mso-level-tab-stop:4.0in;
    3829         mso-level-number-position:left;
    3830         text-indent:-.25in;}
    3831 @list l40:level9
    3832         {mso-level-tab-stop:4.5in;
    3833         mso-level-number-position:left;
    3834         text-indent:-.25in;}
    3835 @list l41
     3939@list l42
     3940        {mso-list-id:1565602802;
     3941        mso-list-type:hybrid;
     3942        mso-list-template-ids:318938194 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
     3943@list l42:level1
     3944        {mso-level-number-format:bullet;
     3945        mso-level-text:;
     3946        mso-level-tab-stop:none;
     3947        mso-level-number-position:left;
     3948        margin-left:.25in;
     3949        text-indent:-.25in;
     3950        font-family:Symbol;}
     3951@list l42:level2
     3952        {mso-level-number-format:bullet;
     3953        mso-level-text:o;
     3954        mso-level-tab-stop:none;
     3955        mso-level-number-position:left;
     3956        margin-left:.75in;
     3957        text-indent:-.25in;
     3958        font-family:"Courier New";}
     3959@list l42:level3
     3960        {mso-level-number-format:bullet;
     3961        mso-level-text:;
     3962        mso-level-tab-stop:none;
     3963        mso-level-number-position:left;
     3964        margin-left:1.25in;
     3965        text-indent:-.25in;
     3966        font-family:Wingdings;}
     3967@list l42:level4
     3968        {mso-level-number-format:bullet;
     3969        mso-level-text:;
     3970        mso-level-tab-stop:none;
     3971        mso-level-number-position:left;
     3972        margin-left:1.75in;
     3973        text-indent:-.25in;
     3974        font-family:Symbol;}
     3975@list l42:level5
     3976        {mso-level-number-format:bullet;
     3977        mso-level-text:o;
     3978        mso-level-tab-stop:none;
     3979        mso-level-number-position:left;
     3980        margin-left:2.25in;
     3981        text-indent:-.25in;
     3982        font-family:"Courier New";}
     3983@list l42:level6
     3984        {mso-level-number-format:bullet;
     3985        mso-level-text:;
     3986        mso-level-tab-stop:none;
     3987        mso-level-number-position:left;
     3988        margin-left:2.75in;
     3989        text-indent:-.25in;
     3990        font-family:Wingdings;}
     3991@list l42:level7
     3992        {mso-level-number-format:bullet;
     3993        mso-level-text:;
     3994        mso-level-tab-stop:none;
     3995        mso-level-number-position:left;
     3996        margin-left:3.25in;
     3997        text-indent:-.25in;
     3998        font-family:Symbol;}
     3999@list l42:level8
     4000        {mso-level-number-format:bullet;
     4001        mso-level-text:o;
     4002        mso-level-tab-stop:none;
     4003        mso-level-number-position:left;
     4004        margin-left:3.75in;
     4005        text-indent:-.25in;
     4006        font-family:"Courier New";}
     4007@list l42:level9
     4008        {mso-level-number-format:bullet;
     4009        mso-level-text:;
     4010        mso-level-tab-stop:none;
     4011        mso-level-number-position:left;
     4012        margin-left:4.25in;
     4013        text-indent:-.25in;
     4014        font-family:Wingdings;}
     4015@list l43
    38364016        {mso-list-id:1602638135;
    38374017        mso-list-type:hybrid;
    38384018        mso-list-template-ids:1512494542 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3839 @list l41:level1
     4019@list l43:level1
    38404020        {mso-level-number-format:bullet;
    38414021        mso-level-text:;
    … …  
    38444024        text-indent:-.25in;
    38454025        font-family:Symbol;}
    3846 @list l41:level2
     4026@list l43:level2
    38474027        {mso-level-number-format:bullet;
    38484028        mso-level-text:o;
    … …  
    38514031        text-indent:-.25in;
    38524032        font-family:"Courier New";}
    3853 @list l41:level3
    3854         {mso-level-number-format:bullet;
    3855         mso-level-text:;
    3856         mso-level-tab-stop:none;
    3857         mso-level-number-position:left;
    3858         text-indent:-.25in;
    3859         font-family:Wingdings;}
    3860 @list l41:level4
     4033@list l43:level3
     4034        {mso-level-number-format:bullet;
     4035        mso-level-text:;
     4036        mso-level-tab-stop:none;
     4037        mso-level-number-position:left;
     4038        text-indent:-.25in;
     4039        font-family:Wingdings;}
     4040@list l43:level4
    38614041        {mso-level-number-format:bullet;
    38624042        mso-level-text:;
    … …  
    38654045        text-indent:-.25in;
    38664046        font-family:Symbol;}
    3867 @list l41:level5
     4047@list l43:level5
    38684048        {mso-level-number-format:bullet;
    38694049        mso-level-text:o;
    … …  
    38724052        text-indent:-.25in;
    38734053        font-family:"Courier New";}
    3874 @list l41:level6
    3875         {mso-level-number-format:bullet;
    3876         mso-level-text:;
    3877         mso-level-tab-stop:none;
    3878         mso-level-number-position:left;
    3879         text-indent:-.25in;
    3880         font-family:Wingdings;}
    3881 @list l41:level7
     4054@list l43:level6
     4055        {mso-level-number-format:bullet;
     4056        mso-level-text:;
     4057        mso-level-tab-stop:none;
     4058        mso-level-number-position:left;
     4059        text-indent:-.25in;
     4060        font-family:Wingdings;}
     4061@list l43:level7
    38824062        {mso-level-number-format:bullet;
    38834063        mso-level-text:;
    … …  
    38864066        text-indent:-.25in;
    38874067        font-family:Symbol;}
    3888 @list l41:level8
     4068@list l43:level8
    38894069        {mso-level-number-format:bullet;
    38904070        mso-level-text:o;
    … …  
    38934073        text-indent:-.25in;
    38944074        font-family:"Courier New";}
    3895 @list l41:level9
    3896         {mso-level-number-format:bullet;
    3897         mso-level-text:;
    3898         mso-level-tab-stop:none;
    3899         mso-level-number-position:left;
    3900         text-indent:-.25in;
    3901         font-family:Wingdings;}
    3902 @list l42
     4075@list l43:level9
     4076        {mso-level-number-format:bullet;
     4077        mso-level-text:;
     4078        mso-level-tab-stop:none;
     4079        mso-level-number-position:left;
     4080        text-indent:-.25in;
     4081        font-family:Wingdings;}
     4082@list l44
    39034083        {mso-list-id:1694066867;
    39044084        mso-list-type:hybrid;
    39054085        mso-list-template-ids:-219798034 67698691 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3906 @list l42:level1
     4086@list l44:level1
    39074087        {mso-level-number-format:bullet;
    39084088        mso-level-text:o;
    … …  
    39124092        text-indent:-.25in;
    39134093        font-family:"Courier New";}
    3914 @list l42:level2
     4094@list l44:level2
    39154095        {mso-level-number-format:bullet;
    39164096        mso-level-text:o;
    … …  
    39204100        text-indent:-.25in;
    39214101        font-family:"Courier New";}
    3922 @list l42:level3
     4102@list l44:level3
    39234103        {mso-level-number-format:bullet;
    39244104        mso-level-text:;
    … …  
    39284108        text-indent:-.25in;
    39294109        font-family:Wingdings;}
    3930 @list l42:level4
     4110@list l44:level4
    39314111        {mso-level-number-format:bullet;
    39324112        mso-level-text:;
    … …  
    39364116        text-indent:-.25in;
    39374117        font-family:Symbol;}
    3938 @list l42:level5
     4118@list l44:level5
    39394119        {mso-level-number-format:bullet;
    39404120        mso-level-text:o;
    … …  
    39444124        text-indent:-.25in;
    39454125        font-family:"Courier New";}
    3946 @list l42:level6
     4126@list l44:level6
    39474127        {mso-level-number-format:bullet;
    39484128        mso-level-text:;
    … …  
    39524132        text-indent:-.25in;
    39534133        font-family:Wingdings;}
    3954 @list l42:level7
     4134@list l44:level7
    39554135        {mso-level-number-format:bullet;
    39564136        mso-level-text:;
    … …  
    39604140        text-indent:-.25in;
    39614141        font-family:Symbol;}
    3962 @list l42:level8
     4142@list l44:level8
    39634143        {mso-level-number-format:bullet;
    39644144        mso-level-text:o;
    … …  
    39684148        text-indent:-.25in;
    39694149        font-family:"Courier New";}
    3970 @list l42:level9
     4150@list l44:level9
    39714151        {mso-level-number-format:bullet;
    39724152        mso-level-text:;
    … …  
    39764156        text-indent:-.25in;
    39774157        font-family:Wingdings;}
    3978 @list l43
     4158@list l45
    39794159        {mso-list-id:1695418260;
    39804160        mso-list-type:hybrid;
    39814161        mso-list-template-ids:-1367588104 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    3982 @list l43:level1
     4162@list l45:level1
    39834163        {mso-level-number-format:bullet;
    39844164        mso-level-text:;
    … …  
    39874167        text-indent:-.25in;
    39884168        font-family:Symbol;}
    3989 @list l43:level2
     4169@list l45:level2
    39904170        {mso-level-number-format:bullet;
    39914171        mso-level-text:o;
    … …  
    39944174        text-indent:-.25in;
    39954175        font-family:"Courier New";}
    3996 @list l43:level3
    3997         {mso-level-number-format:bullet;
    3998         mso-level-text:;
    3999         mso-level-tab-stop:none;
    4000         mso-level-number-position:left;
    4001         text-indent:-.25in;
    4002         font-family:Wingdings;}
    4003 @list l43:level4
     4176@list l45:level3
     4177        {mso-level-number-format:bullet;
     4178        mso-level-text:;
     4179        mso-level-tab-stop:none;
     4180        mso-level-number-position:left;
     4181        text-indent:-.25in;
     4182        font-family:Wingdings;}
     4183@list l45:level4
    40044184        {mso-level-number-format:bullet;
    40054185        mso-level-text:;
    … …  
    40084188        text-indent:-.25in;
    40094189        font-family:Symbol;}
    4010 @list l43:level5
     4190@list l45:level5
    40114191        {mso-level-number-format:bullet;
    40124192        mso-level-text:o;
    … …  
    40154195        text-indent:-.25in;
    40164196        font-family:"Courier New";}
    4017 @list l43:level6
    4018         {mso-level-number-format:bullet;
    4019         mso-level-text:;
    4020         mso-level-tab-stop:none;
    4021         mso-level-number-position:left;
    4022         text-indent:-.25in;
    4023         font-family:Wingdings;}
    4024 @list l43:level7
     4197@list l45:level6
     4198        {mso-level-number-format:bullet;
     4199        mso-level-text:;
     4200        mso-level-tab-stop:none;
     4201        mso-level-number-position:left;
     4202        text-indent:-.25in;
     4203        font-family:Wingdings;}
     4204@list l45:level7
    40254205        {mso-level-number-format:bullet;
    40264206        mso-level-text:;
    … …  
    40294209        text-indent:-.25in;
    40304210        font-family:Symbol;}
    4031 @list l43:level8
     4211@list l45:level8
    40324212        {mso-level-number-format:bullet;
    40334213        mso-level-text:o;
    … …  
    40364216        text-indent:-.25in;
    40374217        font-family:"Courier New";}
    4038 @list l43:level9
    4039         {mso-level-number-format:bullet;
    4040         mso-level-text:;
    4041         mso-level-tab-stop:none;
    4042         mso-level-number-position:left;
    4043         text-indent:-.25in;
    4044         font-family:Wingdings;}
    4045 @list l44
     4218@list l45:level9
     4219        {mso-level-number-format:bullet;
     4220        mso-level-text:;
     4221        mso-level-tab-stop:none;
     4222        mso-level-number-position:left;
     4223        text-indent:-.25in;
     4224        font-family:Wingdings;}
     4225@list l46
    40464226        {mso-list-id:1734962708;
    40474227        mso-list-template-ids:-2097672882;}
    4048 @list l44:level1
     4228@list l46:level1
    40494229        {mso-level-tab-stop:.25in;
    40504230        mso-level-number-position:left;
    40514231        margin-left:.25in;
    40524232        text-indent:-.25in;}
    4053 @list l44:level2
     4233@list l46:level2
    40544234        {mso-level-number-format:bullet;
    40554235        mso-level-text:o;
    … …  
    40614241        font-family:"Courier New";
    40624242        mso-bidi-font-family:"Times New Roman";}
    4063 @list l44:level3
     4243@list l46:level3
    40644244        {mso-level-tab-stop:1.25in;
    40654245        mso-level-number-position:left;
    40664246        margin-left:1.25in;
    40674247        text-indent:-.25in;}
    4068 @list l44:level4
     4248@list l46:level4
    40694249        {mso-level-tab-stop:1.75in;
    40704250        mso-level-number-position:left;
    40714251        margin-left:1.75in;
    40724252        text-indent:-.25in;}
    4073 @list l44:level5
     4253@list l46:level5
    40744254        {mso-level-tab-stop:2.25in;
    40754255        mso-level-number-position:left;
    40764256        margin-left:2.25in;
    40774257        text-indent:-.25in;}
    4078 @list l44:level6
     4258@list l46:level6
    40794259        {mso-level-tab-stop:2.75in;
    40804260        mso-level-number-position:left;
    40814261        margin-left:2.75in;
    40824262        text-indent:-.25in;}
    4083 @list l44:level7
     4263@list l46:level7
    40844264        {mso-level-tab-stop:3.25in;
    40854265        mso-level-number-position:left;
    40864266        margin-left:3.25in;
    40874267        text-indent:-.25in;}
    4088 @list l44:level8
     4268@list l46:level8
    40894269        {mso-level-tab-stop:3.75in;
    40904270        mso-level-number-position:left;
    40914271        margin-left:3.75in;
    40924272        text-indent:-.25in;}
    4093 @list l44:level9
     4273@list l46:level9
    40944274        {mso-level-tab-stop:4.25in;
    40954275        mso-level-number-position:left;
    40964276        margin-left:4.25in;
    40974277        text-indent:-.25in;}
    4098 @list l45
     4278@list l47
    40994279        {mso-list-id:1740903945;
    41004280        mso-list-type:hybrid;
    41014281        mso-list-template-ids:1244542154 67698689 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    4102 @list l45:level1
     4282@list l47:level1
    41034283        {mso-level-number-format:bullet;
    41044284        mso-level-text:;
    … …  
    41074287        text-indent:-.25in;
    41084288        font-family:Symbol;}
    4109 @list l45:level2
     4289@list l47:level2
    41104290        {mso-level-number-format:alpha-lower;
    41114291        mso-level-tab-stop:none;
    41124292        mso-level-number-position:left;
    41134293        text-indent:-.25in;}
    4114 @list l45:level3
     4294@list l47:level3
    41154295        {mso-level-number-format:roman-lower;
    41164296        mso-level-tab-stop:none;
    41174297        mso-level-number-position:right;
    41184298        text-indent:-9.0pt;}
    4119 @list l45:level4
     4299@list l47:level4
    41204300        {mso-level-tab-stop:none;
    41214301        mso-level-number-position:left;
    41224302        text-indent:-.25in;}
    4123 @list l45:level5
     4303@list l47:level5
    41244304        {mso-level-number-format:alpha-lower;
    41254305        mso-level-tab-stop:none;
    41264306        mso-level-number-position:left;
    41274307        text-indent:-.25in;}
    4128 @list l45:level6
     4308@list l47:level6
    41294309        {mso-level-number-format:roman-lower;
    41304310        mso-level-tab-stop:none;
    41314311        mso-level-number-position:right;
    41324312        text-indent:-9.0pt;}
    4133 @list l45:level7
     4313@list l47:level7
    41344314        {mso-level-tab-stop:none;
    41354315        mso-level-number-position:left;
    41364316        text-indent:-.25in;}
    4137 @list l45:level8
     4317@list l47:level8
    41384318        {mso-level-number-format:alpha-lower;
    41394319        mso-level-tab-stop:none;
    41404320        mso-level-number-position:left;
    41414321        text-indent:-.25in;}
    4142 @list l45:level9
     4322@list l47:level9
    41434323        {mso-level-number-format:roman-lower;
    41444324        mso-level-tab-stop:none;
    41454325        mso-level-number-position:right;
    41464326        text-indent:-9.0pt;}
    4147 @list l46
     4327@list l48
    41484328        {mso-list-id:1776049230;
    41494329        mso-list-type:hybrid;
    41504330        mso-list-template-ids:1378754006 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    4151 @list l46:level1
     4331@list l48:level1
    41524332        {mso-level-number-format:bullet;
    41534333        mso-level-text:;
    … …  
    41564336        text-indent:-.25in;
    41574337        font-family:Symbol;}
    4158 @list l46:level2
     4338@list l48:level2
    41594339        {mso-level-number-format:bullet;
    41604340        mso-level-text:o;
    … …  
    41634343        text-indent:-.25in;
    41644344        font-family:"Courier New";}
    4165 @list l46:level3
    4166         {mso-level-number-format:bullet;
    4167         mso-level-text:;
    4168         mso-level-tab-stop:none;
    4169         mso-level-number-position:left;
    4170         text-indent:-.25in;
    4171         font-family:Wingdings;}
    4172 @list l46:level4
     4345@list l48:level3
     4346        {mso-level-number-format:bullet;
     4347        mso-level-text:;
     4348        mso-level-tab-stop:none;
     4349        mso-level-number-position:left;
     4350        text-indent:-.25in;
     4351        font-family:Wingdings;}
     4352@list l48:level4
    41734353        {mso-level-number-format:bullet;
    41744354        mso-level-text:;
    … …  
    41774357        text-indent:-.25in;
    41784358        font-family:Symbol;}
    4179 @list l46:level5
     4359@list l48:level5
    41804360        {mso-level-number-format:bullet;
    41814361        mso-level-text:o;
    … …  
    41844364        text-indent:-.25in;
    41854365        font-family:"Courier New";}
    4186 @list l46:level6
    4187         {mso-level-number-format:bullet;
    4188         mso-level-text:;
    4189         mso-level-tab-stop:none;
    4190         mso-level-number-position:left;
    4191         text-indent:-.25in;
    4192         font-family:Wingdings;}
    4193 @list l46:level7
     4366@list l48:level6
     4367        {mso-level-number-format:bullet;
     4368        mso-level-text:;
     4369        mso-level-tab-stop:none;
     4370        mso-level-number-position:left;
     4371        text-indent:-.25in;
     4372        font-family:Wingdings;}
     4373@list l48:level7
    41944374        {mso-level-number-format:bullet;
    41954375        mso-level-text:;
    … …  
    41984378        text-indent:-.25in;
    41994379        font-family:Symbol;}
    4200 @list l46:level8
     4380@list l48:level8
    42014381        {mso-level-number-format:bullet;
    42024382        mso-level-text:o;
    … …  
    42054385        text-indent:-.25in;
    42064386        font-family:"Courier New";}
    4207 @list l46:level9
    4208         {mso-level-number-format:bullet;
    4209         mso-level-text:;
    4210         mso-level-tab-stop:none;
    4211         mso-level-number-position:left;
    4212         text-indent:-.25in;
    4213         font-family:Wingdings;}
    4214 @list l47
     4387@list l48:level9
     4388        {mso-level-number-format:bullet;
     4389        mso-level-text:;
     4390        mso-level-tab-stop:none;
     4391        mso-level-number-position:left;
     4392        text-indent:-.25in;
     4393        font-family:Wingdings;}
     4394@list l49
    42154395        {mso-list-id:1842507328;
    42164396        mso-list-template-ids:244079786;}
    4217 @list l47:level1
     4397@list l49:level1
    42184398        {mso-level-number-format:bullet;
    42194399        mso-level-text:;
    … …  
    42224402        text-indent:-.25in;
    42234403        font-family:Symbol;}
    4224 @list l47:level2
     4404@list l49:level2
    42254405        {mso-level-number-format:bullet;
    42264406        mso-level-text:;
    … …  
    42324412        mso-ansi-font-weight:normal;
    42334413        mso-ansi-font-style:normal;}
    4234 @list l47:level3
     4414@list l49:level3
    42354415        {mso-level-tab-stop:1.5in;
    42364416        mso-level-number-position:left;
    42374417        text-indent:-.25in;}
    4238 @list l47:level4
     4418@list l49:level4
    42394419        {mso-level-tab-stop:2.0in;
    42404420        mso-level-number-position:left;
    42414421        text-indent:-.25in;}
    4242 @list l47:level5
     4422@list l49:level5
    42434423        {mso-level-tab-stop:2.5in;
    42444424        mso-level-number-position:left;
    42454425        text-indent:-.25in;}
    4246 @list l47:level6
     4426@list l49:level6
    42474427        {mso-level-tab-stop:3.0in;
    42484428        mso-level-number-position:left;
    42494429        text-indent:-.25in;}
    4250 @list l47:level7
     4430@list l49:level7
    42514431        {mso-level-tab-stop:3.5in;
    42524432        mso-level-number-position:left;
    42534433        text-indent:-.25in;}
    4254 @list l47:level8
     4434@list l49:level8
    42554435        {mso-level-tab-stop:4.0in;
    42564436        mso-level-number-position:left;
    42574437        text-indent:-.25in;}
    4258 @list l47:level9
     4438@list l49:level9
    42594439        {mso-level-tab-stop:4.5in;
    42604440        mso-level-number-position:left;
    42614441        text-indent:-.25in;}
    4262 @list l48
     4442@list l50
    42634443        {mso-list-id:1858541808;
    42644444        mso-list-template-ids:244079786;}
    4265 @list l48:level1
     4445@list l50:level1
    42664446        {mso-level-number-format:bullet;
    42674447        mso-level-text:;
    … …  
    42704450        text-indent:-.25in;
    42714451        font-family:Symbol;}
    4272 @list l48:level2
     4452@list l50:level2
    42734453        {mso-level-number-format:bullet;
    42744454        mso-level-text:;
    … …  
    42804460        mso-ansi-font-weight:normal;
    42814461        mso-ansi-font-style:normal;}
    4282 @list l48:level3
     4462@list l50:level3
    42834463        {mso-level-tab-stop:1.5in;
    42844464        mso-level-number-position:left;
    42854465        text-indent:-.25in;}
    4286 @list l48:level4
     4466@list l50:level4
    42874467        {mso-level-tab-stop:2.0in;
    42884468        mso-level-number-position:left;
    42894469        text-indent:-.25in;}
    4290 @list l48:level5
     4470@list l50:level5
    42914471        {mso-level-tab-stop:2.5in;
    42924472        mso-level-number-position:left;
    42934473        text-indent:-.25in;}
    4294 @list l48:level6
     4474@list l50:level6
    42954475        {mso-level-tab-stop:3.0in;
    42964476        mso-level-number-position:left;
    42974477        text-indent:-.25in;}
    4298 @list l48:level7
     4478@list l50:level7
    42994479        {mso-level-tab-stop:3.5in;
    43004480        mso-level-number-position:left;
    43014481        text-indent:-.25in;}
    4302 @list l48:level8
     4482@list l50:level8
    43034483        {mso-level-tab-stop:4.0in;
    43044484        mso-level-number-position:left;
    43054485        text-indent:-.25in;}
    4306 @list l48:level9
     4486@list l50:level9
    43074487        {mso-level-tab-stop:4.5in;
    43084488        mso-level-number-position:left;
    43094489        text-indent:-.25in;}
    4310 @list l49
     4490@list l51
    43114491        {mso-list-id:1869751984;
    43124492        mso-list-type:hybrid;
    43134493        mso-list-template-ids:-1019073478 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    4314 @list l49:level1
     4494@list l51:level1
    43154495        {mso-level-number-format:bullet;
    43164496        mso-level-text:;
    … …  
    43194499        text-indent:-.25in;
    43204500        font-family:Symbol;}
    4321 @list l49:level2
     4501@list l51:level2
    43224502        {mso-level-number-format:bullet;
    43234503        mso-level-text:o;
    … …  
    43264506        text-indent:-.25in;
    43274507        font-family:"Courier New";}
    4328 @list l49:level3
    4329         {mso-level-number-format:bullet;
    4330         mso-level-text:;
    4331         mso-level-tab-stop:none;
    4332         mso-level-number-position:left;
    4333         text-indent:-.25in;
    4334         font-family:Wingdings;}
    4335 @list l49:level4
     4508@list l51:level3
     4509        {mso-level-number-format:bullet;
     4510        mso-level-text:;
     4511        mso-level-tab-stop:none;
     4512        mso-level-number-position:left;
     4513        text-indent:-.25in;
     4514        font-family:Wingdings;}
     4515@list l51:level4
    43364516        {mso-level-number-format:bullet;
    43374517        mso-level-text:;
    … …  
    43404520        text-indent:-.25in;
    43414521        font-family:Symbol;}
    4342 @list l49:level5
     4522@list l51:level5
    43434523        {mso-level-number-format:bullet;
    43444524        mso-level-text:o;
    … …  
    43474527        text-indent:-.25in;
    43484528        font-family:"Courier New";}
    4349 @list l49:level6
    4350         {mso-level-number-format:bullet;
    4351         mso-level-text:;
    4352         mso-level-tab-stop:none;
    4353         mso-level-number-position:left;
    4354         text-indent:-.25in;
    4355         font-family:Wingdings;}
    4356 @list l49:level7
     4529@list l51:level6
     4530        {mso-level-number-format:bullet;
     4531        mso-level-text:;
     4532        mso-level-tab-stop:none;
     4533        mso-level-number-position:left;
     4534        text-indent:-.25in;
     4535        font-family:Wingdings;}
     4536@list l51:level7
    43574537        {mso-level-number-format:bullet;
    43584538        mso-level-text:;
    … …  
    43614541        text-indent:-.25in;
    43624542        font-family:Symbol;}
    4363 @list l49:level8
     4543@list l51:level8
    43644544        {mso-level-number-format:bullet;
    43654545        mso-level-text:o;
    … …  
    43684548        text-indent:-.25in;
    43694549        font-family:"Courier New";}
    4370 @list l49:level9
    4371         {mso-level-number-format:bullet;
    4372         mso-level-text:;
    4373         mso-level-tab-stop:none;
    4374         mso-level-number-position:left;
    4375         text-indent:-.25in;
    4376         font-family:Wingdings;}
    4377 @list l50
     4550@list l51:level9
     4551        {mso-level-number-format:bullet;
     4552        mso-level-text:;
     4553        mso-level-tab-stop:none;
     4554        mso-level-number-position:left;
     4555        text-indent:-.25in;
     4556        font-family:Wingdings;}
     4557@list l52
    43784558        {mso-list-id:1912042311;
    43794559        mso-list-type:hybrid;
    43804560        mso-list-template-ids:1793328576 67698689 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    4381 @list l50:level1
     4561@list l52:level1
    43824562        {mso-level-number-format:bullet;
    43834563        mso-level-text:;
    … …  
    43864566        text-indent:-.25in;
    43874567        font-family:Symbol;}
    4388 @list l50:level2
     4568@list l52:level2
    43894569        {mso-level-number-format:bullet;
    43904570        mso-level-text:o;
    … …  
    43934573        text-indent:-.25in;
    43944574        font-family:"Courier New";}
    4395 @list l50:level3
    4396         {mso-level-number-format:bullet;
    4397         mso-level-text:;
    4398         mso-level-tab-stop:none;
    4399         mso-level-number-position:left;
    4400         text-indent:-.25in;
    4401         font-family:Wingdings;}
    4402 @list l50:level4
     4575@list l52:level3
     4576        {mso-level-number-format:bullet;
     4577        mso-level-text:;
     4578        mso-level-tab-stop:none;
     4579        mso-level-number-position:left;
     4580        text-indent:-.25in;
     4581        font-family:Wingdings;}
     4582@list l52:level4
    44034583        {mso-level-number-format:bullet;
    44044584        mso-level-text:;
    … …  
    44074587        text-indent:-.25in;
    44084588        font-family:Symbol;}
    4409 @list l50:level5
     4589@list l52:level5
    44104590        {mso-level-number-format:bullet;
    44114591        mso-level-text:o;
    … …  
    44144594        text-indent:-.25in;
    44154595        font-family:"Courier New";}
    4416 @list l50:level6
    4417         {mso-level-number-format:bullet;
    4418         mso-level-text:;
    4419         mso-level-tab-stop:none;
    4420         mso-level-number-position:left;
    4421         text-indent:-.25in;
    4422         font-family:Wingdings;}
    4423 @list l50:level7
     4596@list l52:level6
     4597        {mso-level-number-format:bullet;
     4598        mso-level-text:;
     4599        mso-level-tab-stop:none;
     4600        mso-level-number-position:left;
     4601        text-indent:-.25in;
     4602        font-family:Wingdings;}
     4603@list l52:level7
    44244604        {mso-level-number-format:bullet;
    44254605        mso-level-text:;
    … …  
    44284608        text-indent:-.25in;
    44294609        font-family:Symbol;}
    4430 @list l50:level8
     4610@list l52:level8
    44314611        {mso-level-number-format:bullet;
    44324612        mso-level-text:o;
    … …  
    44354615        text-indent:-.25in;
    44364616        font-family:"Courier New";}
    4437 @list l50:level9
    4438         {mso-level-number-format:bullet;
    4439         mso-level-text:;
    4440         mso-level-tab-stop:none;
    4441         mso-level-number-position:left;
    4442         text-indent:-.25in;
    4443         font-family:Wingdings;}
    4444 @list l51
     4617@list l52:level9
     4618        {mso-level-number-format:bullet;
     4619        mso-level-text:;
     4620        mso-level-tab-stop:none;
     4621        mso-level-number-position:left;
     4622        text-indent:-.25in;
     4623        font-family:Wingdings;}
     4624@list l53
    44454625        {mso-list-id:2021002967;
    44464626        mso-list-template-ids:349610142;}
    4447 @list l51:level1
     4627@list l53:level1
    44484628        {mso-level-number-format:bullet;
    44494629        mso-level-text:;
    … …  
    44524632        text-indent:-.25in;
    44534633        font-family:Symbol;}
    4454 @list l51:level2
     4634@list l53:level2
    44554635        {mso-level-number-format:bullet;
    44564636        mso-level-text:;
    … …  
    44604640        mso-ansi-font-size:10.0pt;
    44614641        font-family:Symbol;}
    4462 @list l51:level3
     4642@list l53:level3
    44634643        {mso-level-tab-stop:1.5in;
    44644644        mso-level-number-position:left;
    44654645        text-indent:-.25in;}
    4466 @list l51:level4
     4646@list l53:level4
    44674647        {mso-level-tab-stop:2.0in;
    44684648        mso-level-number-position:left;
    44694649        text-indent:-.25in;}
    4470 @list l51:level5
     4650@list l53:level5
    44714651        {mso-level-tab-stop:2.5in;
    44724652        mso-level-number-position:left;
    44734653        text-indent:-.25in;}
    4474 @list l51:level6
     4654@list l53:level6
    44754655        {mso-level-tab-stop:3.0in;
    44764656        mso-level-number-position:left;
    44774657        text-indent:-.25in;}
    4478 @list l51:level7
     4658@list l53:level7
    44794659        {mso-level-tab-stop:3.5in;
    44804660        mso-level-number-position:left;
    44814661        text-indent:-.25in;}
    4482 @list l51:level8
     4662@list l53:level8
    44834663        {mso-level-tab-stop:4.0in;
    44844664        mso-level-number-position:left;
    44854665        text-indent:-.25in;}
    4486 @list l51:level9
     4666@list l53:level9
    44874667        {mso-level-tab-stop:4.5in;
    44884668        mso-level-number-position:left;
    44894669        text-indent:-.25in;}
    4490 @list l52
     4670@list l54
    44914671        {mso-list-id:2052536215;
    44924672        mso-list-template-ids:-16363168;}
    4493 @list l52:level1
     4673@list l54:level1
    44944674        {mso-level-tab-stop:.25in;
    44954675        mso-level-number-position:left;
    44964676        margin-left:.25in;
    44974677        text-indent:-.25in;}
    4498 @list l52:level2
     4678@list l54:level2
    44994679        {mso-level-number-format:bullet;
    45004680        mso-level-text:;
    … …  
    45074687        mso-ansi-font-weight:normal;
    45084688        mso-ansi-font-style:normal;}
    4509 @list l52:level3
     4689@list l54:level3
    45104690        {mso-level-tab-stop:1.25in;
    45114691        mso-level-number-position:left;
    45124692        margin-left:1.25in;
    45134693        text-indent:-.25in;}
    4514 @list l52:level4
     4694@list l54:level4
    45154695        {mso-level-tab-stop:1.75in;
    45164696        mso-level-number-position:left;
    45174697        margin-left:1.75in;
    45184698        text-indent:-.25in;}
    4519 @list l52:level5
     4699@list l54:level5
    45204700        {mso-level-tab-stop:2.25in;
    45214701        mso-level-number-position:left;
    45224702        margin-left:2.25in;
    45234703        text-indent:-.25in;}
    4524 @list l52:level6
     4704@list l54:level6
    45254705        {mso-level-tab-stop:2.75in;
    45264706        mso-level-number-position:left;
    45274707        margin-left:2.75in;
    45284708        text-indent:-.25in;}
    4529 @list l52:level7
     4709@list l54:level7
    45304710        {mso-level-tab-stop:3.25in;
    45314711        mso-level-number-position:left;
    45324712        margin-left:3.25in;
    45334713        text-indent:-.25in;}
    4534 @list l52:level8
     4714@list l54:level8
    45354715        {mso-level-tab-stop:3.75in;
    45364716        mso-level-number-position:left;
    45374717        margin-left:3.75in;
    45384718        text-indent:-.25in;}
    4539 @list l52:level9
     4719@list l54:level9
    45404720        {mso-level-tab-stop:4.25in;
    45414721        mso-level-number-position:left;
    45424722        margin-left:4.25in;
    45434723        text-indent:-.25in;}
    4544 @list l53
     4724@list l55
    45454725        {mso-list-id:2054160433;
    45464726        mso-list-type:hybrid;
    45474727        mso-list-template-ids:-618123054 67698691 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    4548 @list l53:level1
     4728@list l55:level1
    45494729        {mso-level-number-format:bullet;
    45504730        mso-level-text:o;
    … …  
    45544734        text-indent:-.25in;
    45554735        font-family:"Courier New";}
    4556 @list l53:level2
     4736@list l55:level2
    45574737        {mso-level-number-format:bullet;
    45584738        mso-level-text:o;
    … …  
    45624742        text-indent:-.25in;
    45634743        font-family:"Courier New";}
    4564 @list l53:level3
     4744@list l55:level3
    45654745        {mso-level-number-format:bullet;
    45664746        mso-level-text:;
    … …  
    45704750        text-indent:-.25in;
    45714751        font-family:Wingdings;}
    4572 @list l53:level4
     4752@list l55:level4
    45734753        {mso-level-number-format:bullet;
    45744754        mso-level-text:;
    … …  
    45784758        text-indent:-.25in;
    45794759        font-family:Symbol;}
    4580 @list l53:level5
     4760@list l55:level5
    45814761        {mso-level-number-format:bullet;
    45824762        mso-level-text:o;
    … …  
    45864766        text-indent:-.25in;
    45874767        font-family:"Courier New";}
    4588 @list l53:level6
     4768@list l55:level6
    45894769        {mso-level-number-format:bullet;
    45904770        mso-level-text:;
    … …  
    45944774        text-indent:-.25in;
    45954775        font-family:Wingdings;}
    4596 @list l53:level7
     4776@list l55:level7
    45974777        {mso-level-number-format:bullet;
    45984778        mso-level-text:;
    … …  
    46024782        text-indent:-.25in;
    46034783        font-family:Symbol;}
    4604 @list l53:level8
     4784@list l55:level8
    46054785        {mso-level-number-format:bullet;
    46064786        mso-level-text:o;
    … …  
    46104790        text-indent:-.25in;
    46114791        font-family:"Courier New";}
    4612 @list l53:level9
     4792@list l55:level9
    46134793        {mso-level-number-format:bullet;
    46144794        mso-level-text:;
    … …  
    46184798        text-indent:-.25in;
    46194799        font-family:Wingdings;}
    4620 @list l54
     4800@list l56
    46214801        {mso-list-id:2081706164;
    46224802        mso-list-type:hybrid;
    46234803        mso-list-template-ids:43661158 67698691 67698691 67698693 67698689 67698691 67698693 67698689 67698691 67698693;}
    4624 @list l54:level1
     4804@list l56:level1
    46254805        {mso-level-number-format:bullet;
    46264806        mso-level-text:o;
    … …  
    46304810        text-indent:-.25in;
    46314811        font-family:"Courier New";}
    4632 @list l54:level2
     4812@list l56:level2
    46334813        {mso-level-number-format:bullet;
    46344814        mso-level-text:o;
    … …  
    46384818        text-indent:-.25in;
    46394819        font-family:"Courier New";}
    4640 @list l54:level3
     4820@list l56:level3
    46414821        {mso-level-number-format:bullet;
    46424822        mso-level-text:;
    … …  
    46464826        text-indent:-.25in;
    46474827        font-family:Wingdings;}
    4648 @list l54:level4
     4828@list l56:level4
    46494829        {mso-level-number-format:bullet;
    46504830        mso-level-text:;
    … …  
    46544834        text-indent:-.25in;
    46554835        font-family:Symbol;}
    4656 @list l54:level5
     4836@list l56:level5
    46574837        {mso-level-number-format:bullet;
    46584838        mso-level-text:o;
    … …  
    46624842        text-indent:-.25in;
    46634843        font-family:"Courier New";}
    4664 @list l54:level6
     4844@list l56:level6
    46654845        {mso-level-number-format:bullet;
    46664846        mso-level-text:;
    … …  
    46704850        text-indent:-.25in;
    46714851        font-family:Wingdings;}
    4672 @list l54:level7
     4852@list l56:level7
    46734853        {mso-level-number-format:bullet;
    46744854        mso-level-text:;
    … …  
    46784858        text-indent:-.25in;
    46794859        font-family:Symbol;}
    4680 @list l54:level8
     4860@list l56:level8
    46814861        {mso-level-number-format:bullet;
    46824862        mso-level-text:o;
    … …  
    46864866        text-indent:-.25in;
    46874867        font-family:"Courier New";}
    4688 @list l54:level9
     4868@list l56:level9
    46894869        {mso-level-number-format:bullet;
    46904870        mso-level-text:;
    … …  
    46944874        text-indent:-.25in;
    46954875        font-family:Wingdings;}
    4696 @list l55
     4876@list l57
    46974877        {mso-list-id:2090813036;
    46984878        mso-list-template-ids:713564194;}
    4699 @list l55:level1
     4879@list l57:level1
    47004880        {mso-level-number-format:bullet;
    47014881        mso-level-text:;
    … …  
    47054885        mso-ansi-font-size:10.0pt;
    47064886        font-family:Symbol;}
    4707 @list l55:level2
     4887@list l57:level2
    47084888        {mso-level-number-format:bullet;
    47094889        mso-level-text:o;
    … …  
    47144894        font-family:"Courier New";
    47154895        mso-bidi-font-family:"Times New Roman";}
    4716 @list l55:level3
     4896@list l57:level3
    47174897        {mso-level-number-format:bullet;
    47184898        mso-level-text:;
    … …  
    47224902        mso-ansi-font-size:10.0pt;
    47234903        font-family:Wingdings;}
    4724 @list l55:level4
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     5051@list l59:level8
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    50025182
    50035183<p class=MsoNormal>The data tree shows contents of a GSAS-II project (which can
    5004 be read or saved as a .<span class=SpellE>gpx</span> file) in a hierarchical
    5005 view. Clicking on any item in the tree opens that information on the right side
    5006 of the window in the &quot;Data Editing&quot; section, where information in
    5007 that item can be viewed or edited. For example, the <a
    5008 href="gsasII-pwdr.html#PWDR_Sample_Parameters">&quot;Sample Parameters&quot;</a>
    5009 item under a ‘PWDR’ entry contains information about how data were collected,
    5010 such as the sample temperature <a href="gsasII-pwdr.html#PWDR_Sample_Parameters">(see
    5011 below)</a>. The arrow keys (up &amp; down) move the selection to successive
    5012 entries in the data tree; both the data window and the associated plot (if any)
    5013 will change.</p>
     5184be read or saved as a .gpx file) in a hierarchical view. Clicking on any item
     5185in the tree opens that information on the right side of the window in the
     5186&quot;Data Editing&quot; section, where information in that item can be viewed
     5187or edited. For example, the <a href="gsasII-pwdr.html#PWDR_Sample_Parameters">&quot;Sample
     5188Parameters&quot;</a> item under a ‘PWDR’ entry contains information about how
     5189data were collected, such as the sample temperature <a
     5190href="gsasII-pwdr.html#PWDR_Sample_Parameters">(see below)</a>. The arrow keys
     5191(up &amp; down) move the selection to successive entries in the data tree; both
     5192the data window and the associated plot (if any) will change.</p>
    50145193
    50155194<h4><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h4>
    … …  
    50645243
    50655244<p class=MsoNormal>This window presents all the graphical material as a multipage
    5066 tabbed set of plots utilizing the matplotlib python package. Each page containing
    5067 a graph or plot has a tool bar with the controls</p>
     5245tabbed set of plots utilizing the matplotlib python package. Each page
     5246containing a graph or plot has a tool bar with the controls</p>
    50685247
    50695248<p class=MsoNormal><span style='mso-no-proof:yes'><!--[if gte vml 1]><v:shape
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    50725251 <v:imagedata src="gsasII_files/image001.png" o:title=" NiTi-C" croptop="60814f"
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    5232  <v:imagedata src="gsasII_files/image018.png" o:title=""/>
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    524554243-dimensional structure drawings there will be below the toolbar may be a
    52465425status bar that on the left may show either an instruction for a keyed input or
    5247 a <span class=GramE>pull down</span> selection of keyed input; on the right may
    5248 be displayed position dependent information that is updated as the mouse is
    5249 moved over the plot region.<span style='mso-fareast-font-family:"Times New Roman";
    5250 mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
     5426a pull down selection of keyed input; on the right may be displayed position
     5427dependent information that is updated as the mouse is moved over the plot
     5428region.<span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
     5429minor-fareast'><o:p></o:p></span></p>
    52515430
    52525431<p class=MsoListParagraphCxSpLast><span style='mso-fareast-font-family:"Times New Roman";
    … …  
    52755454</span></span><![endif]><b>File</b> Menu</p>
    52765455
    5277 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
     5456<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
    52785457style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    52795458Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    52805459</span></span></span><![endif]><b>Open project…</b> - Open a previously saved
    5281 GSAS-II project file ({project}.<span class=SpellE>gpx</span>). If you
    5282 currently have a project file open, you are asked if it is OK to overwrite it;
    5283 Cancel will cancel the read process. </p>
     5460GSAS-II project file ({project}.gpx). If you currently have a project file
     5461open, you are asked if it is OK to overwrite it; Cancel will cancel the read
     5462process. </p>
    52845463
    52855464<p class=MsoListParagraphCxSpMiddle>Note that as files are saved during a
    52865465structure refinement, copies of the previous version are saved as backup files,
    5287 named as {project}.<span class=SpellE>bak</span>{<span class=SpellE><i>i</i></span>}.<span
    5288 class=SpellE>gpx</span>, where <span class=SpellE><i>i</i></span> starts as 0
    5289 and is increased after each save operation. NB: you may open a backup .<span
    5290 class=SpellE>gpx</span> file (<span class=GramE>e.g.</span> name.bak3.gpx) to
    5291 return to a previous version of your project, but if you do so, it is best to
    5292 immediately use the <b'>Save As... menu command (you may wish to use <span
    5293 class=SpellE>name.gpx</span> to overwrite the current version or select a new
    5294 name.) If you forget <span class=GramE>specify</span> a project name, then
    5295 name.bak3 will be considered the project name and backups will then be named
    5296 name.bak3.bak0.gpx, etc.</p>
    5297 
    5298 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5299 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5300 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5301 </span></span></span><![endif]><b>Save <span class=GramE>project<span
    5302 style='mso-spacerun:yes'>  </span>-</span> </b>Save the current project. If
    5303 this is a new project that has not yet been saved, you will be prompted for a
    5304 new name in a file dialog (you may optionally change the directory in that dialog).
    5305 If the file exists, you will be asked if it is OK to overwrite it. Once a file
    5306 name has been used to read or save a project, the name is shown after ‘Loaded
    5307 Data:’ in the first item in the data tree. </p>
    5308 
    5309 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
     5466named as {project}.bak{<i>i</i>}.gpx, where <i>i</i> starts as 0 and is increased
     5467after each save operation. NB: you may open a backup .gpx file (e.g.
     5468name.bak3.gpx) to return to a previous version of your project, but if you do
     5469so, it is best to immediately use the <b'>Save As... menu command (you may wish
     5470to use name.gpx to overwrite the current version or select a new name.) If you
     5471forget specify a project name, then name.bak3 will be considered the project
     5472name and backups will then be named name.bak3.bak0.gpx, etc.</p>
     5473
     5474<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5475style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5476Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5477</span></span></span><![endif]><b>Save project<span style='mso-spacerun:yes'> 
     5478</span>- </b>Save the current project. If this is a new project that has not
     5479yet been saved, you will be prompted for a new name in a file dialog (you may
     5480optionally change the directory in that dialog). If the file exists, you will
     5481be asked if it is OK to overwrite it. Once a file name has been used to read or
     5482save a project, the name is shown after ‘Loaded Data:’ in the first item in the
     5483data tree. </p>
     5484
     5485<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
    53105486style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    53115487Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    53175493the saved project name.</p>
    53185494
    5319 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5320 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5321 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5322 </span></span></span><![endif]><b>New <span class=GramE>Project<span
    5323 style='mso-spacerun:yes'>  </span>-</span> </b>Discards any changes made to the
    5324 current project since the last save and creates a new empty project. </p>
    5325 
    5326 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5327 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5328 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5329 </span></span></span><![endif]><span class=GramE><b>Preferences<span
    5330 style='mso-spacerun:yes'>  </span>-</b></span><b> </b>Provides access to
    5331 GSAS-II configuration settings, as described in the <a href="#Preferences">Configuration
    5332 Variables</a> section. </p>
    5333 
    5334 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
     5495<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5496style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5497Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5498</span></span></span><![endif]><b>New Project<span style='mso-spacerun:yes'> 
     5499</span>- </b>Discards any changes made to the current project since the last
     5500save and creates a new empty project. </p>
     5501
     5502<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5503style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5504Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5505</span></span></span><![endif]><b>Preferences<span style='mso-spacerun:yes'> 
     5506</span>- </b>Provides access to GSAS-II configuration settings, as described in
     5507the <a href="#Preferences">Configuration Variables</a> section. </p>
     5508
     5509<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
    53355510style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    53365511Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    53395514administration if needed).</p>
    53405515
    5341 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5342 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5343 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5344 </span></span></span><![endif]><span class=SpellE><b>Ipython</b></span><b>
    5345 console - </b>Debugging tool.</p>
    5346 
    5347 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5348 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5349 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5350 </span></span></span><![endif]><span class=SpellE><span class=GramE><b>wx.inspection</b></span></span><b>
    5351 tool - </b>Debugging tool.</p>
    5352 
    5353 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l36 level1 lfo3'><![if !supportLists]><span
    5354 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    5355 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5356 </span></span></span><![endif]><span class=GramE><b>Quit<span
    5357 style='mso-spacerun:yes'>  </span>-</b></span><b> </b>Exit the GSAS-II program.
    5358 You will be asked if the project should be saved or not (Cancel aborts the
    5359 quit). You can also exit GSAS-II by pressing the red X in the upper right
    5360 (Windows) or left (Mac). Pressing the red X on the console will kill the
    5361 GSAS-II run without any save.</p>
     5516<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5517style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5518Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5519</span></span></span><![endif]><b>Ipython console - </b>Debugging tool.</p>
     5520
     5521<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5522style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5523Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5524</span></span></span><![endif]><b>wx.inspection tool - </b>Debugging tool.</p>
     5525
     5526<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo3'><![if !supportLists]><span
     5527style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     5528Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     5529</span></span></span><![endif]><b>Quit<span style='mso-spacerun:yes'>  </span>-
     5530</b>Exit the GSAS-II program. You will be asked if the project should be saved
     5531or not (Cancel aborts the quit). You can also exit GSAS-II by pressing the red
     5532X in the upper right (Windows) or left (Mac). Pressing the red X on the console
     5533will kill the GSAS-II run without any save.</p>
    53625534
    53635535<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    53665538</span></span><![endif]><b>Data</b> Menu</p>
    53675539
    5368 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5540<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    53695541style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    53705542Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    53815553first in table).</p>
    53825554
    5383 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5555<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    53845556style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    53855557Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    53865558</span></span></span><![endif]><b>Sum or average powder data - </b>Form the sum
    53875559of previously read powder patterns; each with a multiplier. Can be used to
    5388 accumulate data, subtract <span class=GramE>background</span> or empty
    5389 container patterns, etc. Patterns used to form the sum must be of identical
    5390 range and step size. Result is a new PWDR entry in the GSAS-II data tree. </p>
    5391 
    5392 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5560accumulate data, subtract background or empty container patterns, etc. Patterns
     5561used to form the sum must be of identical range and step size. Result is a new
     5562PWDR entry in the GSAS-II data tree. </p>
     5563
     5564<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    53935565style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    53945566Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    53955567</span></span></span><![endif]><b>Sum image data - </b>Form the sum of
    53965568previously read 2-D images; each with a multiplier. Can be used to accumulate
    5397 data, subtract <span class=GramE>background</span> or empty container patterns,
    5398 etc. Images used to form the sum must be of identical size and source. Result
    5399 is a new IMG entry in the GSAS-II data tree, and a GSAS-II image file is
    5400 written for future use as a python pickle file. </p>
    5401 
    5402 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5569data, subtract background or empty container patterns, etc. Images used to form
     5570the sum must be of identical size and source. Result is a new IMG entry in the
     5571GSAS-II data tree, and a GSAS-II image file is written for future use as a
     5572python pickle file. </p>
     5573
     5574<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54035575style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54045576Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54115583
    54125584<p class=MsoListParagraphCxSpMiddle>Note that nonstandard space group symbols
    5413 are permitted; space group names must have spaces between the axial fields (<span
    5414 class=GramE>e.g.</span> use ‘P n a 21’ not ‘Pna21’). </p>
    5415 
    5416 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5585are permitted; space group names must have spaces between the axial fields
     5586(e.g. use ‘P n a 21’ not ‘Pna21’). </p>
     5587
     5588<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54175589style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54185590Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54215593one (or more) to delete. </p>
    54225594
    5423 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5595<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54245596style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54255597Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    54265598</span></span></span><![endif]><b>Rename tree entry - </b>Rename a histogram
    5427 entry. This should only be done before the histogram is used in any phases: <span
    5428 class=GramE>e.g.</span> only rename data immediately after reading. </p>
    5429 
    5430 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5599entry. This should only be done before the histogram is used in any phases:
     5600e.g. only rename data immediately after reading. </p>
     5601
     5602<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54315603style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54325604Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    54335605</span></span></span><![endif]><b>Delete data entries - </b>This will remove a
    5434 data (<span class=GramE>e.g.</span> PWDR) item from the data tree. A dialog box
    5435 with a list of choices for histograms is presented; it has filter capability to
    5436 ease this process. Be sure to remove histograms from all phases before deleting
    5437 them from the tree. </p>
    5438 
    5439 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5606data (e.g. PWDR) item from the data tree. A dialog box with a list of choices
     5607for histograms is presented; it has filter capability to ease this process. Be
     5608sure to remove histograms from all phases before deleting them from the tree. </p>
     5609
     5610<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54405611style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54415612Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54445615presented.</p>
    54455616
    5446 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5617<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54475618style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54485619Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54515622choices for entries is presented.</p>
    54525623
    5453 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5624<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54545625style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54555626Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54575628entries for specified type of items (IMG, PWDR, etc.)</p>
    54585629
    5459 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l37 level1 lfo4'><![if !supportLists]><span
     5630<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l38 level1 lfo4'><![if !supportLists]><span
    54605631style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54615632Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    54825653style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    54835654Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5484 </span></span></span><![endif]><b>View LS <span class=SpellE>parms</span> - </b>This
    5485 shows a dialog box with all the parameters for your project; those to be refined
    5486 are flagged ‘True’, otherwise ‘False’. Blanks indicate parameters that are not
    5487 refinable. The total number of refined parameters is also shown at the top of
    5488 the list. The value of each parameter is also given. The parameter names are of
    5489 the form ‘<span class=SpellE>p:h:name:id</span>’ where ‘p’ is the phase index,
    5490 ‘h’ is the histogram index and ‘id’ is the item index (if needed). Indexes all
    5491 begin with ‘0’ (zero). <span style='mso-fareast-font-family:"Times New Roman";
    5492 mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
     5655</span></span></span><![endif]><b>View LS parms - </b>This shows a dialog box
     5656with all the parameters for your project; those to be refined are flagged
     5657‘True’, otherwise ‘False’. Blanks indicate parameters that are not refinable.
     5658The total number of refined parameters is also shown at the top of the list.
     5659The value of each parameter is also given. The parameter names are of the form
     5660‘p:h:name:id’ where ‘p’ is the phase index, ‘h’ is the histogram index and ‘id’
     5661is the item index (if needed). Indexes all begin with ‘0’ (zero). <span
     5662style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    54935663
    54945664<p class=MsoListParagraphCxSpMiddle>Note that for atom positions, the
    5495 coordinate values (named as ‘<span class=GramE>p::</span><span class=SpellE>A<i>w</i>:n</span>’,
    5496 where p is the phase number, n is the atom number and <i>w</i> is x, y or z) is
    5497 not a refinable parameter, but the shift in the value is. The refined
    5498 parameters are ‘<span class=GramE>p::</span><span class=SpellE>A<i>w</i>:n</span>’.
    5499 The reason this is done is that by treating an atom position as <span
    5500 class=SpellE>x+<span class=GramE>dx,y</span>+dy,z+dz</span> where the “d”
    5501 values indicate shifts from the starting position and the shifts are refined
    5502 rather than the <span class=SpellE>x,y</span>, or z values is that this
    5503 simplifies symmetry constraints. As an example, suppose we have an atom on a
    5504 symmetry constrained site, x,1/2-<span class=GramE>x,z.</span> The process
    5505 needed to define this constraint, so that if x moves positively y <span
    5506 class=GramE>has to</span> move negatively by the same amount would be messy.
    5507 With refinement of shifts, all we need to do is constrain <span class=SpellE>dy</span>
    5508 (‘<span class=GramE>0::</span><span class=SpellE>dAy:n</span>’) to be equal to
    5509 -dx (-1*‘0::<span class=SpellE>dAx:n</span>’). </p>
     5665coordinate values (named as ‘p::A<i>w</i>:n’, where p is the phase number, n is
     5666the atom number and <i>w</i> is x, y or z) is not a refinable parameter, but
     5667the shift in the value is. The refined parameters are ‘p::A<i>w</i>:n’. The
     5668reason this is done is that by treating an atom position as x+dx,y+dy,z+dz
     5669where the “d” values indicate shifts from the starting position and the shifts
     5670are refined rather than the x,y, or z values is that this simplifies symmetry
     5671constraints. As an example, suppose we have an atom on a symmetry constrained
     5672site, x,1/2-x,z. The process needed to define this constraint, so that if x
     5673moves positively y has to move negatively by the same amount would be messy.
     5674With refinement of shifts, all we need to do is constrain dy (‘0::dAy:n’) to be
     5675equal to -dx (-1*‘0::dAx:n’). </p>
    55105676
    55115677<p class=MsoListParagraphCxSpMiddle>Press the window exit button to exit this
    … …  
    55255691style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    55265692Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5527 </span></span></span><![endif]><b>Compute partials - </b>This runs a
    5528 zero-cycle refinement where the contributions from each phase (phase
    5529 partial intensities) are written for each histogram
    5530 and each phase in that histogram into a single file named
    5531 <tt><I>project</I>.partials</tt> where
    5532 <tt><I>project</I></tt> is the GSAS-II project (.gpx)
    5533 name. This file is intended for internal use in GSAS-II and will be
    5534 deleted if additional refinements are performed (making the
    5535 information in them obsolete; use this menu
    5536 command to recreate them if needed.)
    5537 When the <tt>.partials</tt> file is created, the user can optionally choose to
    5538 export the intensity information in a series of ASCII files named
    5539 <tt><I>prefix</I>_part_</tt><I>N</I><tt>.csv</tt>, which can be read by
    5540 spreadsheets and most scientific software.
    5541 </P>
     5693</span></span></span><![endif]><b>Compute partials - </b>This runs a zero-cycle
     5694refinement where the contributions from each phase (phase partial intensities)
     5695are written for each histogram and each phase in that histogram into a single
     5696file named <tt><i><span style='font-size:10.0pt'>project</span></i></tt><tt><span
     5697style='font-size:10.0pt'>.partials</span></tt> where <tt><i><span
     5698style='font-size:10.0pt'>project</span></i></tt> is the GSAS-II project (.gpx)
     5699name. This file is intended for internal use in GSAS-II and will be deleted if
     5700additional refinements are performed (making the information in them obsolete;
     5701use this menu command to recreate them if needed.) When the <tt><span
     5702style='font-size:10.0pt'>.partials</span></tt> file is created, the user can
     5703optionally choose to export the intensity information in a series of ASCII
     5704files named <tt><i><span style='font-size:10.0pt'>prefix</span></i></tt><tt><span
     5705style='font-size:10.0pt'>_part_</span></tt><i>N</i><tt><span style='font-size:
     570610.0pt'>.csv</span></tt>, which can be read by spreadsheets and most scientific
     5707software. </p>
    55425708
    55435709<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo5'><![if !supportLists]><span
    55445710style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    55455711Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5546 </span></span></span><![endif]><b>Run <span class=SpellE>Fprime</span> - </b>This
    5547 run the utility routine <span class=SpellE>Fprime</span> that displays real and
    5548 imaginary components of the x-ray form factors for user selected elements as a
    5549 function of wavelength/energy. Allows an informed choice of wavelength for
    5550 resonant x-ray scattering experiments</p>
     5712</span></span></span><![endif]><b>Run Fprime - </b>This run the utility routine
     5713Fprime that displays real and imaginary components of the x-ray form factors
     5714for user selected elements as a function of wavelength/energy. Allows an
     5715informed choice of wavelength for resonant x-ray scattering experiments</p>
    55515716
    55525717<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l2 level1 lfo5'><![if !supportLists]><span
    … …  
    55605725style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    55615726Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    5562 </span></span></span><![endif]><b>Run <span class=SpellE>PlotXNFF</span> - </b>This
    5563 runs the utility routine <span class=SpellE>PlotXNFF</span> which displays
    5564 resonant (if any) neutron scattering lengths for all isotopes of a selected
    5565 element. It also displays the x-ray and magnetic neutron form factors for all
    5566 valences (if any) for this element.</p>
     5727</span></span></span><![endif]><b>Run PlotXNFF - </b>This runs the utility
     5728routine PlotXNFF which displays resonant (if any) neutron scattering lengths
     5729for all isotopes of a selected element. It also displays the x-ray and magnetic
     5730neutron form factors for all valences (if any) for this element.</p>
    55675731
    55685732<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    55765740that can be created and customized easily. See the <a
    55775741href="https://gsas-ii.readthedocs.io/en/latest/imports.html">GSAS-II Import
    5578 Modules section</a> of the <a href="#Programmers"><span class=GramE><strong>Programmers</strong></span><strong>
     5742Modules section</a> of the <a href="#Programmers"><strong>Programmers
    55795743documentation</strong></a> for more information on this. Since it is easy to
    55805744support new formats, the documentation below may not list all supported
    … …  
    55905754with specific imports that are available. Any of these files can be accessed
    55915755from a zip file. GSAS-II can read many different image file formats including
    5592 MAR345 files, Quantum ADSC files, and tiff files from <span class=GramE>Perkin-Elmer</span>,
    5593 Pilatus, and GE. Although many of these formats have data fields that should
    5594 contain relevant information for the exposure (<span class=GramE>e.g.</span>
    5595 wavelength), these are rarely filled in correctly by the data acquisition
    5596 software. Thus, you should have separately noted this information as it will be
    5597 needed. In some cases, this information may be in a separate “metadata” file;
    5598 GSAS-II will look for this and attempt to open it as well as the image file. <br>
     5756MAR345 files, Quantum ADSC files, and tiff files from Perkin-Elmer, Pilatus,
     5757and GE. Although many of these formats have data fields that should contain
     5758relevant information for the exposure (e.g. wavelength), these are rarely
     5759filled in correctly by the data acquisition software. Thus, you should have
     5760separately noted this information as it will be needed. In some cases, this
     5761information may be in a separate “metadata” file; GSAS-II will look for this
     5762and attempt to open it as well as the image file. <br>
    55995763NB: gain maps can be imported but they must be 1000*the gain value (typically
    56005764~1) as integers; if used, GSAS-II will rescale the gain map by 1/1000 and apply
    … …  
    56125776style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    56135777style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5614 </span></span></span><![endif]><span class=GramE><b>GSAS .EXP</b></span> - This
    5615 reads one phase from a (old) <span class=SpellE>gsas</span> experiment file (<span
    5616 class=SpellE>name.EXP</span>). The file name is found in a directory dialog;
    5617 you can change directories as needed. <span class=GramE>Only .EXP</span> (or
    5618 .exp) file names are shown. If the selected file has more than one phase, a
    5619 dialog is shown with the <span class=GramE>choices;</span> only one can be
    5620 chosen. If you want more than one, redo this command. After selecting a phase,
    5621 a dialog box is shown with the proposed phase name. You can change it if
    5622 desired. </p>
     5778</span></span></span><![endif]><b>GSAS .EXP</b> - This reads one phase from a
     5779(old) gsas experiment file (name.EXP). The file name is found in a directory
     5780dialog; you can change directories as needed. Only .EXP (or .exp) file names
     5781are shown. If the selected file has more than one phase, a dialog is shown with
     5782the choices; only one can be chosen. If you want more than one, redo this
     5783command. After selecting a phase, a dialog box is shown with the proposed phase
     5784name. You can change it if desired. </p>
    56235785
    56245786<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5625 auto;text-indent:-.25in;mso-list:l42 level1 lfo7'><![if !supportLists]><span
     5787auto;text-indent:-.25in;mso-list:l44 level1 lfo7'><![if !supportLists]><span
    56265788style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    56275789style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    56285790</span></span></span><![endif]><b>PDB file - </b>This reads the macromolecular
    5629 phase information from a Protein Data Base file (name.PDB or <span
    5630 class=SpellE>name.ENT</span>). The file name is found in a directory dialog;
    5631 you can change directories as needed. Only .PDB (or .<span class=SpellE>pdb</span>)
    5632 <span class=GramE>or .ENT</span> (or .<span class=SpellE>ent</span>) file names
    5633 are shown. Be careful that the space group symbol on the ‘CRYST1’ record in the
    5634 PDB file follows the GSAS-II conventions (<span class=GramE>e.g.</span> with
    5635 spaces between axial fields). A dialog box is shown with the proposed phase
    5636 name. You can change it if desired. </p>
     5791phase information from a Protein Data Base file (name.PDB or name.ENT). The
     5792file name is found in a directory dialog; you can change directories as needed.
     5793Only .PDB (or .pdb) or .ENT (or .ent) file names are shown. Be careful that the
     5794space group symbol on the ‘CRYST1’ record in the PDB file follows the GSAS-II
     5795conventions (e.g. with spaces between axial fields). A dialog box is shown with
     5796the proposed phase name. You can change it if desired. </p>
    56375797
    56385798<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5639 auto;text-indent:-.25in;mso-list:l42 level1 lfo7'><![if !supportLists]><span
     5799auto;text-indent:-.25in;mso-list:l44 level1 lfo7'><![if !supportLists]><span
    56405800style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    56415801style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    56425802</span></span></span><![endif]><b>CIF file</b> - This reads one phase from a
    5643 Crystallographic Information File ({name<span class=GramE>}.CIF</span> (or .<span
    5644 class=SpellE>cif</span>). The file name is found in a directory dialog; you can
    5645 change directories as needed. If the selected file has more than one phase, a
    5646 dialog is shown with the <span class=GramE>choices;</span> only one can be
    5647 chosen. If you want more than one, redo this command. After selecting a phase,
    5648 a dialog box is shown with the proposed phase name. You can change it if
     5803Crystallographic Information File ({name}.CIF (or .cif). The file name is found
     5804in a directory dialog; you can change directories as needed. If the selected
     5805file has more than one phase, a dialog is shown with the choices; only one can
     5806be chosen. If you want more than one, redo this command. After selecting a
     5807phase, a dialog box is shown with the proposed phase name. You can change it if
    56495808desired. </p>
    56505809
    56515810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    5652 auto;text-indent:-.25in;mso-list:l42 level1 lfo7'><![if !supportLists]><span
     5811auto;text-indent:-.25in;mso-list:l44 level1 lfo7'><![if !supportLists]><span
    56535812style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    56545813style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5655 </span></span></span><![endif]><b>GSAS-II .<span class=SpellE>gpx</span> file</b>
    5656 - This reads one phase from a GSAS-II project file ({name}.<span class=SpellE>gpx</span>).
    5657 The file name is found in a directory dialog; you can change directories as
    5658 needed. If the selected file has more than one phase, a dialog is shown with
    5659 the choices; If you want more than one, redo this command. After selecting a
    5660 phase, a dialog box is shown with the proposed phase name. You can change it if
    5661 desired. </p>
     5814</span></span></span><![endif]><b>GSAS-II .gpx file</b> - This reads one phase
     5815from a GSAS-II project file ({name}.gpx). The file name is found in a directory
     5816dialog; you can change directories as needed. If the selected file has more
     5817than one phase, a dialog is shown with the choices; If you want more than one,
     5818redo this command. After selecting a phase, a dialog box is shown with the
     5819proposed phase name. You can change it if desired. </p>
    56625820
    56635821<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    5664 text-indent:-.25in;mso-list:l42 level1 lfo7'><![if !supportLists]><span
     5822text-indent:-.25in;mso-list:l44 level1 lfo7'><![if !supportLists]><span
    56655823style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    56665824style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    56755833RMCProfile rmc6f files.</p>
    56765834
    5677 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l43 level1 lfo8'><![if !supportLists]><span
     5835<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l45 level1 lfo8'><![if !supportLists]><span
    56785836style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    56795837Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    56835841data set, such as data type, calibration constants (such as wavelength) and
    56845842default profile parameters are read from a separate file, either a (old) GSAS
    5685 instrument parameter file (<span class=GramE>usually .<span class=SpellE>prm</span></span>,
    5686 .ins or .<span class=SpellE>inst</span> extension) or a new GSAS-II .<span
    5687 class=SpellE>instparm</span> file. <span style='mso-fareast-font-family:"Times New Roman";
     5843instrument parameter file (usually .prm, .ins or .inst extension) or a new
     5844GSAS-II .instparm file. <span style='mso-fareast-font-family:"Times New Roman";
    56885845mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    56895846
    56905847<p class=MsoListParagraphCxSpMiddle>Note that it is possible to apply
    56915848corrections to the 2-theta, intensity or weight values by adding a Python
    5692 command(s) to the instrument <span class=GramE>(.<span class=SpellE>instprm</span></span>)
    5693 parameter with a variable named <span class=SpellE>CorrectionCode</span>. See
    5694 the <span class=SpellE><tt><span style='font-size:10.0pt'>CorrectionCode.instprm.sample</span></tt></span>
     5849command(s) to the instrument (.instprm) parameter with a variable named
     5850CorrectionCode. See the <tt><span style='font-size:10.0pt'>CorrectionCode.instprm.sample</span></tt>
    56955851file provided in the GSAS-II source directory for an example of how this is
    56965852done. <span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
    … …  
    56985854
    56995855<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5700 auto;text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5856auto;text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57015857style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57025858style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    57035859</span></span></span><![endif]><b>CIF file</b> - This reads one powder pattern
    5704 (histogram) from a Crystallographic Information File ({name<span class=GramE>}.CIF</span>).
    5705 The file name is found in a directory dialog; you can change directories as
    5706 needed. Only <span class=GramE>one .<span class=SpellE>cif</span></span> can be
    5707 chosen. If you want more than one, redo this command. </p>
     5860(histogram) from a Crystallographic Information File ({name}.CIF). The file
     5861name is found in a directory dialog; you can change directories as needed. Only
     5862one .cif can be chosen. If you want more than one, redo this command. </p>
    57085863
    57095864<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5710 auto;text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5865auto;text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57115866style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57125867style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5713 </span></span></span><![endif]><b>GSAS-II .<span class=SpellE>gpx</span> file</b>
    5714 - This reads powder patterns from a previously created GSAS-II <span
    5715 class=SpellE>gpx</span> project file. If the selected file has more than one
    5716 powder pattern, a dialog is shown with the choices; one or more can be
    5717 selected. It will ask for an appropriate instrument parameter file to go with
    5718 the selected powder data sets. </p>
     5868</span></span></span><![endif]><b>GSAS-II .gpx file</b> - This reads powder
     5869patterns from a previously created GSAS-II gpx project file. If the selected
     5870file has more than one powder pattern, a dialog is shown with the choices; one
     5871or more can be selected. It will ask for an appropriate instrument parameter
     5872file to go with the selected powder data sets. </p>
    57195873
    57205874<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5721 auto;text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5875auto;text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57225876style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57235877style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5724 </span></span></span><![endif]><b>GSAS .<span class=SpellE>fxye</span> files</b>
    5725 - This reads powder patterns (histograms) from the defined GSAS format powder
    5726 data files. GSAS file <span class=GramE>types</span> STD, ESD, FXY and FXYE are
    5727 recognized. Neutron TOF data with a ‘TIME-MAP’ are also recognized. The file
    5728 names are found in a directory dialog; you can change directories as needed. If
    5729 the selected files have more than one powder pattern, a dialog is shown with
    5730 the choice(s). </p>
     5878</span></span></span><![endif]><b>GSAS .fxye files</b> - This reads powder
     5879patterns (histograms) from the defined GSAS format powder data files. GSAS file
     5880types STD, ESD, FXY and FXYE are recognized. Neutron TOF data with a ‘TIME-MAP’
     5881are also recognized. The file names are found in a directory dialog; you can
     5882change directories as needed. If the selected files have more than one powder
     5883pattern, a dialog is shown with the choice(s). </p>
    57315884
    57325885<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5733 auto;text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5886auto;text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57345887style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57355888style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5736 </span></span></span><![endif]><b>TOPAS .<span class=SpellE>xye</span> files</b>
    5737 - This format is a simple 3-column (2-theta, intensity &amp; sig) text file.
    5738 The file names are found in a directory dialog; you can change directories as
    5739 needed. </p>
     5889</span></span></span><![endif]><b>TOPAS .xye files</b> - This format is a
     5890simple 3-column (2-theta, intensity &amp; sig) text file. The file names are
     5891found in a directory dialog; you can change directories as needed. </p>
    57405892
    57415893<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5742 auto;text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5894auto;text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57435895style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57445896style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    57495901
    57505902<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
    5751 text-indent:-.25in;mso-list:l53 level1 lfo9'><![if !supportLists]><span
     5903text-indent:-.25in;mso-list:l55 level1 lfo9'><![if !supportLists]><span
    57525904style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57535905style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5754 </span></span></span><![endif]><i>other supported formats</i> – <span
    5755 class=GramE>Bruker .RAW</span>; <span class=SpellE>FullProf</span> .<span
    5756 class=SpellE>dat</span>; <span class=SpellE>Panalytical</span> .<span
    5757 class=SpellE>xrdml</span>; Comma-separated .csv; Rigaku .<span class=SpellE>ras</span>
    5758 &amp; .txt </p>
     5906</span></span></span><![endif]><i>other supported formats</i> – Bruker .RAW;
     5907FullProf .dat; Panalytical .xrdml; Comma-separated .csv; Rigaku .ras &amp; .txt
     5908</p>
    57595909
    57605910<p class=MsoNormal style='text-indent:.5in'>Other formats that are supported,
    … …  
    57685918
    57695919<p class=MsoListParagraphCxSpFirst style='margin-left:.75in;mso-add-space:auto;
    5770 text-indent:-.25in;mso-list:l54 level1 lfo10'><![if !supportLists]><span
     5920text-indent:-.25in;mso-list:l56 level1 lfo10'><![if !supportLists]><span
    57715921style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57725922style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    57745924histogram with all zero intensity values in it using a set of instrument
    57755925parameters that are read in from a file or one of the default sets provided
    5776 when Cancel is pressed at the prompt to select a file. The user <span
    5777 class=GramE>is able to</span> specify the data range and step size. One or more
    5778 crystalline phases must also be provided to perform a crystallographic
    5779 simulation. When the &quot;Refine&quot; menu command is initially used, the
    5780 intensities are computed from these phases and the &quot;observed&quot;
    5781 intensity values are set from these computed values, with superimposed
    5782 &quot;random&quot; noise added based on the calculated values as σ=sqrt(I)
    5783 (increase the histogram scale factor to change this, if desired). Further
    5784 refinements can then be used to fit to these simulated data. To reset the
    5785 &quot;observed&quot; intensity values back to zero, to recompute them, use the
    5786 &quot;Edit range&quot; button on the &quot;PWDR&quot; tree item that is created
    5787 by this option. </p>
     5926when Cancel is pressed at the prompt to select a file. The user is able to
     5927specify the data range and step size. One or more crystalline phases must also
     5928be provided to perform a crystallographic simulation. When the
     5929&quot;Refine&quot; menu command is initially used, the intensities are computed
     5930from these phases and the &quot;observed&quot; intensity values are set from
     5931these computed values, with superimposed &quot;random&quot; noise added based
     5932on the calculated values as σ=sqrt(I) (increase the histogram scale factor to
     5933change this, if desired). Further refinements can then be used to fit to these
     5934simulated data. To reset the &quot;observed&quot; intensity values back to
     5935zero, to recompute them, use the &quot;Edit range&quot; button on the
     5936&quot;PWDR&quot; tree item that is created by this option. </p>
    57885937
    57895938<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5790 auto;text-indent:-.25in;mso-list:l54 level1 lfo10'><![if !supportLists]><span
     5939auto;text-indent:-.25in;mso-list:l56 level1 lfo10'><![if !supportLists]><span
    57915940style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    57925941style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    57955944file extension must determine the importer that will be used and a filter
    57965945pattern is specified to determine which files will be read (e.g. use &quot;<tt><span
    5797 style='font-size:10.0pt'>*June23<span class=GramE>*.<span class=SpellE>fxye</span></span></span></tt>&quot;
    5798 so that only files that contain the string &quot;June23&quot; will be read. </p>
     5946style='font-size:10.0pt'>*June23*.fxye</span></tt>&quot; so that only files
     5947that contain the string &quot;June23&quot; will be read. </p>
    57995948
    58005949<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    5801 auto;text-indent:-.25in;mso-list:l54 level1 lfo10'><a name=FPA><![if !supportLists]><span
     5950auto;text-indent:-.25in;mso-list:l56 level1 lfo10'><a name=FPA><![if !supportLists]><span
    58025951style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    58035952style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    5804 </span></span></span><![endif]><b>Fit Instr. profile from fundamental </b></a><span
    5805 class=SpellE><span style='mso-bookmark:FPA'><b>parms</b></span></span><span
    5806 style='mso-bookmark:FPA'><b>...</b> - </span>This option is used to compute
    5807 instrument parameters from a set of fundamental parameters that describe a
    5808 constant wavelength (most likely Bragg-Brentano) powder diffraction instrument.
    5809 The user must first specify the data range to be used and then a set of FP
    5810 (fundamental parameter) values. The FP values and a source spectrum can be
    5811 supplied using a nomenclature <span class=GramE>similar to</span> <span
    5812 class=SpellE>Topas</span> (described further below). They will then be
    5813 converted to the SI units and parameter names used in the NIST FPA code.
    5814 Alternately a file can be supplied with the parameter values used directly in
    5815 that program. With this input, a series of peaks are computed across the
    5816 specified data range and the <a
     5953</span></span></span><![endif]><b>Fit Instr. profile from fundamental parms...</b>
     5954- </a>This option is used to compute instrument parameters from a set of
     5955fundamental parameters that describe a constant wavelength (most likely
     5956Bragg-Brentano) powder diffraction instrument. The user must first specify the
     5957data range to be used and then a set of FP (fundamental parameter) values. The
     5958FP values and a source spectrum can be supplied using a nomenclature similar to
     5959Topas (described further below). They will then be converted to the SI units
     5960and parameter names used in the NIST FPA code. Alternately a file can be
     5961supplied with the parameter values used directly in that program. With this
     5962input, a series of peaks are computed across the specified data range and the <a
    58175963href="gsasII-pwdr.html#PWDR_Instrument_Parameters">Instrumental Parameters</a>
    58185964that determine the instrumental profile (U, V, W, X, Y and SH/L) are determined
    … …  
    58255971
    58265972<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto'><span
    5827 style='mso-bookmark:FPAinput'>Description of the <span class=SpellE>Topas</span>-style
    5828 fundamental parameters used as FPA input for GSAS-II</span> </p>
     5973style='mso-bookmark:FPAinput'>Description of the Topas-style fundamental
     5974parameters used as FPA input for GSAS-II</span> </p>
    58295975
    58305976<div align=center>
    … …  
    58816027  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    58826028  padding:0in 5.4pt 0in 5.4pt'>
    5883   <p class=MsoNormal><span class=SpellE>soller_angle</span></p>
     6029  <p class=MsoNormal>soller_angle</p>
    58846030  </td>
    58856031  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    58946040  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    58956041  <p class=MsoNormal>Angular limit for divergence in equatorial plane as
    5896   limited by <span class=SpellE>Soller</span> collimator(s)</p>
     6042  limited by Soller collimator(s)</p>
    58976043  </td>
    58986044 </tr>
    … …  
    59216067  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    59226068  padding:0in 5.4pt 0in 5.4pt'>
    5923   <p class=MsoNormal><span class=SpellE>filament_length</span></p>
     6069  <p class=MsoNormal>filament_length</p>
    59246070  </td>
    59256071  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    59416087  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    59426088  padding:0in 5.4pt 0in 5.4pt'>
    5943   <p class=MsoNormal><span class=SpellE>sample_length</span></p>
     6089  <p class=MsoNormal>sample_length</p>
    59446090  </td>
    59456091  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    59536099  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    59546100  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    5955   <p class=MsoNormal>Illuminated sample length in axial direction. <span
    5956   class=GramE>Typically</span> the same as <span class=SpellE>filament_length</span>.</p>
     6101  <p class=MsoNormal>Illuminated sample length in axial direction. Typically
     6102  the same as filament_length.</p>
    59576103  </td>
    59586104 </tr>
    … …  
    59616107  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    59626108  padding:0in 5.4pt 0in 5.4pt'>
    5963   <p class=MsoNormal><span class=SpellE>receiving_slit_length</span></p>
     6109  <p class=MsoNormal>receiving_slit_length</p>
    59646110  </td>
    59656111  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    59736119  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    59746120  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    5975   <p class=MsoNormal>Length of the receiving slit in axial direction. <span
    5976   class=GramE>Typically</span> the same as <span class=SpellE>filament_length</span>.</p>
     6121  <p class=MsoNormal>Length of the receiving slit in axial direction. Typically
     6122  the same as filament_length.</p>
    59776123  </td>
    59786124 </tr>
    … …  
    59816127  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    59826128  padding:0in 5.4pt 0in 5.4pt'>
    5983   <p class=MsoNormal><span class=SpellE>LAC_cm</span></p>
     6129  <p class=MsoNormal>LAC_cm</p>
    59846130  </td>
    59856131  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    59876133  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    59886134  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    5989   <p class=MsoNormal><span class=GramE>cm<sup>-1</sup></span></p>
     6135  <p class=MsoNormal>cm<sup>-1</sup></p>
    59906136  </td>
    59916137  <td width=354 valign=top style='width:265.6pt;border-top:none;border-left:
    … …  
    60016147  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    60026148  padding:0in 5.4pt 0in 5.4pt'>
    6003   <p class=MsoNormal><span class=SpellE>sample_thickness</span></p>
     6149  <p class=MsoNormal>sample_thickness</p>
    60046150  </td>
    60056151  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    60216167  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    60226168  padding:0in 5.4pt 0in 5.4pt'>
    6023   <p class=MsoNormal><span class=SpellE>convolution_steps</span></p>
     6169  <p class=MsoNormal>convolution_steps</p>
    60246170  </td>
    60256171  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    60426188  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    60436189  padding:0in 5.4pt 0in 5.4pt'>
    6044   <p class=MsoNormal><span class=SpellE>source_width</span></p>
     6190  <p class=MsoNormal>source_width</p>
    60456191  </td>
    60466192  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    60626208  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    60636209  padding:0in 5.4pt 0in 5.4pt'>
    6064   <p class=MsoNormal>tube-<span class=SpellE>tails_L</span>-tail</p>
     6210  <p class=MsoNormal>tube-tails_L-tail</p>
    60656211  </td>
    60666212  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    60746220  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    60756221  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    6076   <p class=MsoNormal>Width for x-ray intensity occurring beyond the <span
    6077   class=SpellE>Wehnelt</span> shadow as a projection in the axial direction and
    6078   measured in the positive two-theta direction.</p>
     6222  <p class=MsoNormal>Width for x-ray intensity occurring beyond the Wehnelt
     6223  shadow as a projection in the axial direction and measured in the positive
     6224  two-theta direction.</p>
    60796225  </td>
    60806226 </tr>
    … …  
    60836229  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    60846230  padding:0in 5.4pt 0in 5.4pt'>
    6085   <p class=MsoNormal>tube-<span class=SpellE>tails_R</span>-tail</p>
     6231  <p class=MsoNormal>tube-tails_R-tail</p>
    60866232  </td>
    60876233  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    60956241  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    60966242  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    6097   <p class=MsoNormal>Width for x-ray intensity occurring beyond the <span
    6098   class=SpellE>Wehnelt</span> shadow as a projection in the axial direction and
    6099   measured in the negative two-theta direction. </p>
     6243  <p class=MsoNormal>Width for x-ray intensity occurring beyond the Wehnelt
     6244  shadow as a projection in the axial direction and measured in the negative
     6245  two-theta direction. </p>
    61006246  </td>
    61016247 </tr>
    … …  
    61046250  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    61056251  padding:0in 5.4pt 0in 5.4pt'>
    6106   <p class=MsoNormal>tube-<span class=SpellE>tails_rel</span>-I</p>
     6252  <p class=MsoNormal>tube-tails_rel-I</p>
    61076253  </td>
    61086254  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    61316277  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    61326278  padding:0in 5.4pt 0in 5.4pt'>
    6133   <p class=MsoNormal><span class=SpellE>receiving_slit_width</span></p>
     6279  <p class=MsoNormal>receiving_slit_width</p>
    61346280  </td>
    61356281  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    61746320  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    61756321  <p class=MsoNormal>Angular (two-theta) range in equatorial plane that the
    6176   entire Si PSD subtends (<i>not implemented in <span class=SpellE>Topas</span></i>)</p>
     6322  entire Si PSD subtends (<i>not implemented in Topas</i>)</p>
    61776323  </td>
    61786324 </tr>
    … …  
    61886334  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    61896335  padding:0in 5.4pt 0in 5.4pt'>
    6190   <p class=MsoNormal><span class=SpellE>src_mono_mm</span></p>
     6336  <p class=MsoNormal>src_mono_mm</p>
    61916337  </td>
    61926338  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    62096355  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    62106356  padding:0in 5.4pt 0in 5.4pt'>
    6211   <p class=MsoNormal><span class=SpellE>focus_mono_mm</span></p>
     6357  <p class=MsoNormal>focus_mono_mm</p>
    62126358  </td>
    62136359  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    62306376  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    62316377  padding:0in 5.4pt 0in 5.4pt'>
    6232   <p class=MsoNormal><span class=SpellE>passband_mistune</span></p>
     6378  <p class=MsoNormal>passband_mistune</p>
    62336379  </td>
    62346380  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    62516397  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    62526398  padding:0in 5.4pt 0in 5.4pt'>
    6253   <p class=MsoNormal><span class=SpellE>mono_src_proj_mn</span></p>
     6399  <p class=MsoNormal>mono_src_proj_mn</p>
    62546400  </td>
    62556401  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    62576403  mso-border-top-alt:solid windowtext .5pt;mso-border-left-alt:solid windowtext .5pt;
    62586404  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    6259   <p class=MsoNormal><span class=SpellE>μm</span> (micron)<span
    6260   style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
     6405  <p class=MsoNormal>μm (micron)<span style='mso-fareast-font-family:"Times New Roman";
     6406  mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    62616407  </td>
    62626408  <td width=354 valign=top style='width:265.6pt;border-top:none;border-left:
    … …  
    62656411  mso-border-alt:solid windowtext .5pt;padding:0in 5.4pt 0in 5.4pt'>
    62666412  <p class=MsoNormal>Bandwidth setting for the monochromator as set by the
    6267   projection width of the <span class=SpellE>xray</span> source on the
    6268   monochromator along beam direction and in the equatorial plane</p>
     6413  projection width of the xray source on the monochromator along beam direction
     6414  and in the equatorial plane</p>
    62696415  </td>
    62706416 </tr>
    … …  
    62736419  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    62746420  padding:0in 5.4pt 0in 5.4pt'>
    6275   <p class=MsoNormal><span class=SpellE>passband_shoulder</span></p>
     6421  <p class=MsoNormal>passband_shoulder</p>
    62766422  </td>
    62776423  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    62946440  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    62956441  padding:0in 5.4pt 0in 5.4pt'>
    6296   <p class=MsoNormal><span class=SpellE>two_theta_mono</span></p>
     6442  <p class=MsoNormal>two_theta_mono</p>
    62976443  </td>
    62986444  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    63156461  border-top:none;mso-border-top-alt:solid windowtext .5pt;mso-border-alt:solid windowtext .5pt;
    63166462  padding:0in 5.4pt 0in 5.4pt'>
    6317   <p class=MsoNormal><span class=SpellE>mono_slit_attenuation</span></p>
     6463  <p class=MsoNormal>mono_slit_attenuation</p>
    63186464  </td>
    63196465  <td width=71 valign=top style='width:53.05pt;border-top:none;border-left:
    … …  
    63416487p223. DOI: 10.6028/jres.120.014. If the incident beam monochromator model is
    63426488used, please also cite: M.H. Mendenhall, D. Black &amp; J.P. Cline (2019), <i>J.
    6343 Appl. <span class=SpellE>Cryst</span>.</i>, <b>52</b>, p1087. DOI:
    6344 10.1107/S1600576719010951. </p>
     6489Appl. Cryst.</i>, <b>52</b>, p1087. DOI: 10.1107/S1600576719010951. </p>
    63456490
    63466491<p class=MsoNormal style='margin-left:.75in'><span style='mso-fareast-font-family:
    63476492"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p>&nbsp;</o:p></span></p>
    63486493
    6349 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l49 level1 lfo11'><![if !supportLists]><span
     6494<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l51 level1 lfo11'><![if !supportLists]><span
    63506495style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    63516496Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    63596504style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    63606505</span></span></span><![endif]><b>F**2 HKL file</b> - This reads squared
    6361 structure factors (as F**2) and sig(F**2) from a SHELX format .<span
    6362 class=SpellE>hkl</span> file. The file names are found in a directory dialog;
    6363 you can change directories as needed. You must know the file contains structure
    6364 factors (as F**2) as the file itself has no internal indication of this. </p>
     6506structure factors (as F**2) and sig(F**2) from a SHELX format .hkl file. The
     6507file names are found in a directory dialog; you can change directories as
     6508needed. You must know the file contains structure factors (as F**2) as the file
     6509itself has no internal indication of this. </p>
    63656510
    63666511<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    … …  
    63696514style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    63706515</span></span></span><![endif]><b>F HKL file</b> - This reads structure factors
    6371 (as F) and sig(F) from a SHELX format .<span class=SpellE>hkl</span> file. The
    6372 file names are found in a directory dialog; you can change directories as
    6373 needed. You must know the file contains structure factors (as F values) as the
    6374 file itself has no internal indication of this. </p>
     6516(as F) and sig(F) from a SHELX format .hkl file. The file names are found in a
     6517directory dialog; you can change directories as needed. You must know the file
     6518contains structure factors (as F values) as the file itself has no internal
     6519indication of this. </p>
    63756520
    63766521<p class=MsoListParagraphCxSpMiddle style='margin-left:.75in;mso-add-space:
    … …  
    63796524style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    63806525</span></span></span><![endif]><b>CIF file</b> - This reads structure factors
    6381 (as F**2 or F) and <span class=GramE>sig(</span>F**2 or F) from a .CIF (or .<span
    6382 class=SpellE>cif</span>) or .FCF (or .<span class=SpellE>fcf</span>) format
    6383 file. The file names are found in a directory dialog; you can change
     6526(as F**2 or F) and sig(F**2 or F) from a .CIF (or .cif) or .FCF (or .fcf)
     6527format file. The file names are found in a directory dialog; you can change
    63846528directories as needed. The internal structure of this file indicates in which
    63856529form the structure factors are used. </p>
    … …  
    63916535</span></span></span><![endif]><b>guess format from file</b> - This attempts to
    63926536read one data set from a file trying the formats as described above. However,
    6393 since it cannot be determined if SHELX <span class=GramE>format .<span
    6394 class=SpellE>hkl</span></span> contains F or F**2 values, do not use this command
    6395 for those files. On occasion, this command may not succeed in correctly
    6396 determining a file format. If it fails, retry by selecting the correct format
    6397 from the list.</p>
     6537since it cannot be determined if SHELX format .hkl contains F or F**2 values,
     6538do not use this command for those files. On occasion, this command may not
     6539succeed in correctly determining a file format. If it fails, retry by selecting
     6540the correct format from the list.</p>
    63986541
    63996542<p class=MsoNormal style='margin-left:.25in;text-indent:.25in'>There are
    … …  
    64016544data from specific neutron diffractometers.</p>
    64026545
    6403 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l46 level1 lfo13'><![if !supportLists]><span
     6546<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l48 level1 lfo13'><![if !supportLists]><span
    64046547style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64056548Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64136556The data type is either ‘LXC’ or ‘LNC’</p>
    64146557
    6415 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l46 level1 lfo13'><![if !supportLists]><span
     6558<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l48 level1 lfo13'><![if !supportLists]><span
    64166559style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64176560Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64226565comment records. The data type is either ‘RXC’ or ‘RNC’.</p>
    64236566
    6424 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l46 level1 lfo13'><![if !supportLists]><span
     6567<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l48 level1 lfo13'><![if !supportLists]><span
    64256568style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64266569Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64386581A second column of intensities is optional.</p>
    64396582
    6440 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l46 level1 lfo13'><![if !supportLists]><span
     6583<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l48 level1 lfo13'><![if !supportLists]><span
    64416584style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64426585Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    64436586</span></span></span><![endif]><b>PDF G(R) Data</b> - Reads pair distribution
    6444 data for possible analysis by <span class=SpellE>PDFfit</span> from within
    6445 GSAS-II.</p>
     6587data for possible analysis by PDFfit from within GSAS-II.</p>
    64466588
    64476589<p class=MsoListParagraphCxSpMiddle style='margin-left:.25in;mso-add-space:
    … …  
    64556597GSAS-II. These routines can be created and customized easily. See the <a
    64566598href="https://gsas-ii.readthedocs.io/en/latest/exports.html">GSAS-II Export
    6457 Modules section</a> of the <a href="#Programmers"><span class=GramE><strong>Programmers</strong></span><strong>
     6599Modules section</a> of the <a href="#Programmers"><strong>Programmers
    64586600documentation</strong></a> for more information on this. Since it is easy to
    64596601support new formats, the documentation below may not list all supported
    … …  
    64616603minor-fareast'><o:p></o:p></span></p>
    64626604
    6463 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6605<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64646606style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64656607Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64676609two supported formats for a project. One is a Full CIF file, which brings up a
    64686610separate window where information such as ranges for bond distances and angles
    6469 can be selected. The other is a 2-column text file of parameter name and value(<span
    6470 class=SpellE>esd</span>), suitable for cutting/pasting into manuscripts.</p>
    6471 
    6472 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6611can be selected. The other is a 2-column text file of parameter name and
     6612value(esd), suitable for cutting/pasting into manuscripts.</p>
     6613
     6614<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64736615style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64746616Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    64756617</span></span></span><![endif]><b>Phase as</b> - Phases can be exported in a
    64766618variety of formats including a simplified CIF file that contains only the unit
    6477 cell, <span class=GramE>symmetry</span> and coordinates. </p>
    6478 
    6479 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6619cell, symmetry and coordinates. </p>
     6620
     6621<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64806622style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64816623Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64846626reflection lists from Rietveld and Pawley fits. </p>
    64856627
    6486 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6628<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64876629style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64886630Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64906632as a csv text file.</p>
    64916633
    6492 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6634<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64936635style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    64946636Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    64966638only as a csv text file.</p>
    64976639
    6498 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6640<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    64996641style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65006642Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65036645contains only structure factors. </p>
    65046646
    6505 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6647<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    65066648style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65076649Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65126654spreadsheet (.csv file). </p>
    65136655
    6514 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6656<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    65156657style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65166658Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65186660here. </p>
    65196661
    6520 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l29 level1 lfo14'><![if !supportLists]><span
     6662<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l30 level1 lfo14'><![if !supportLists]><span
    65216663style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65226664Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65246666peak lists from selected powder histograms to be written to a simple text file.
    65256667There will be a heading for each PWDR GSAS-II tree item and columns of values
    6526 for position, intensity, <span class=GramE>sigma</span> and gamma follow. </p>
    6527 
    6528 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l45 level1 lfo15'><![if !supportLists]><span
     6668for position, intensity, sigma and gamma follow. </p>
     6669
     6670<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l47 level1 lfo15'><![if !supportLists]><span
    65296671style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65306672Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65326674reflection lists from selected histograms to be written to a file. </p>
    65336675
    6534 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l45 level1 lfo15'><![if !supportLists]><span
     6676<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l47 level1 lfo15'><![if !supportLists]><span
    65356677style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65366678Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    65396681to other macromolecular packages.</p>
    65406682
    6541 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l45 level1 lfo15'><![if !supportLists]><span
     6683<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l47 level1 lfo15'><![if !supportLists]><span
    65426684style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    65436685Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    65446686</span></span></span><![endif]><b>Export PDF...</b> - This allows computed PDFs
    65456687peak lists from selected histograms to be written as two simple text files,
    6546 {name}.gr and {name<span class=GramE>}.sq</span>, containing g(r) and s(q),
    6547 respectively as 2 columns of data; a header on each indicated the source file
    6548 name and the column headings. The file name comes from the PDF entry in the
    6549 GSAS-II data tree. </p>
     6688{name}.gr and {name}.sq, containing g(r) and s(q), respectively as 2 columns of
     6689data; a header on each indicated the source file name and the column headings.
     6690The file name comes from the PDF entry in the GSAS-II data tree. </p>
    65506691
    65516692<div class=MsoNormal align=center style='text-align:center'><span
    … …  
    65706711<p class=MsoNormal>This window provides a place for you to enter whatever text
    65716712commentary you wish. Each time you enter this window, a date/time entry is
    6572 provided for you. A possibly useful technique is to select a portion of the <span
    6573 class=SpellE>project.lst</span> file after a refinement completes (it will
    6574 contain refinement results with residuals, new values &amp; <span class=SpellE>esds</span>)
    6575 and paste it into this Notebook window so it becomes a part of your project
    6576 file. Some GSAS-II operations (e.g., structure refinement &amp; <span
    6577 class=SpellE>fourier</span> map calculation) will add entries to the notebook.</p>
     6713provided for you. A possibly useful technique is to select a portion of the
     6714project.lst file after a refinement completes (it will contain refinement
     6715results with residuals, new values &amp; esds) and paste it into this Notebook
     6716window so it becomes a part of your project file. Some GSAS-II operations
     6717(e.g., structure refinement &amp; fourier map calculation) will add entries to
     6718the notebook.</p>
    65786719
    65796720<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    … …  
    65866727
    65876728<p class=MsoNormal>This window provides access to the controls that determine
    6588 how GSAS-II performs minimizations as well as few global parameters for GSAS-II.
    6589 Note that many other customization settings are set as <a href="#Preferences">configuration
    6590 variables</a> in the Preferences menu. (See the <a
     6729how GSAS-II performs minimizations as well as few global parameters for
     6730GSAS-II. Note that many other customization settings are set as <a
     6731href="#Preferences">configuration variables</a> in the Preferences menu. (See
     6732the <a
    65916733href="https://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#module-config_example">Programmer's
    65926734documentation</a> for a description of those.) </p>
    … …  
    66226764mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
    66236765style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>analytic
    6624 Jacobian: This uses a <span class=SpellE>numpy</span>-provided <span
    6625 class=SpellE><i>leastsq</i></span> minimizer, which not applicable for problem
    6626 with <span class=GramE>a large number of</span> histograms as it requires much
     6766Jacobian: This uses a numpy-provided <i>leastsq</i> minimizer, which not
     6767applicable for problem with a large number of histograms as it requires much
    66276768more memory than the Hessian routines. This because it creates a Jacobian
    66286769matrix (J) that is shaped N x M (N parameters x M observations) while the
    … …  
    66366777mso-fareast-font-family:"Courier New"'><span style='mso-list:Ignore'>o<span
    66376778style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>numeric:
    6638 This also uses the <span class=SpellE>numpy</span> <span class=SpellE><i>leastsq</i></span>
    6639 minimizer and is also not applicable for larger problems. Unlike, the
    6640 &quot;analytic Jacobian&quot;, numerical derivatives are computed rather than
    6641 use the analytical derivatives that are coded directly into GSAS-II. This will
    6642 be slower than the analytical derivatives and will is often less accurate which
    6643 results in slower convergence. <i>It is typically used for code development to
    6644 check the accuracy of the analytical derivative formulations. </i></p>
     6779This also uses the numpy <i>leastsq</i> minimizer and is also not applicable
     6780for larger problems. Unlike, the &quot;analytic Jacobian&quot;, numerical
     6781derivatives are computed rather than use the analytical derivatives that are
     6782coded directly into GSAS-II. This will be slower than the analytical
     6783derivatives and will is often less accurate which results in slower
     6784convergence. <i>It is typically used for code development to check the accuracy
     6785of the analytical derivative formulations. </i></p>
    66456786
    66466787<p class=MsoListParagraphCxSpLast style='margin-left:.75in;mso-add-space:auto;
    … …  
    66556796
    66566797<p class=MsoNormal style='margin-left:.5in'>Note that the Jacobian refinement
    6657 tools are the Fortran MINPACK <span class=SpellE><i>lmdif</i></span> and <span
    6658 class=SpellE><i>lmder</i></span> algorithms wrapped in python as provided in
    6659 the <span class=SpellE>numpy</span>/<span class=SpellE>Scipy</span> package.
    6660 The Hessian routines were developed for GSAS-II based on routines in <span
    6661 class=SpellE>numpy</span> and <span class=SpellE>scipy</span> and used material
    6662 from Numerical Recipes (Press, Flannery, <span class=SpellE>Teulosky</span>
    6663 &amp; <span class=SpellE>Vetterling</span>) for the Levenberg-Marquardt
    6664 algorithm. The <span class=SpellE>lmdif</span> and <span class=SpellE>lmder</span>
    6665 routines were written by Burton S. <span class=SpellE>Garbow</span>, Kenneth E.
    6666 <span class=SpellE>Hillstrom</span>, Jorge J. More (Argonne National
    6667 Laboratory, 1980). </p>
     6798tools are the Fortran MINPACK <i>lmdif</i> and <i>lmder</i> algorithms wrapped
     6799in python as provided in the numpy/Scipy package. The Hessian routines were
     6800developed for GSAS-II based on routines in numpy and scipy and used material
     6801from Numerical Recipes (Press, Flannery, Teulosky &amp; Vetterling) for the
     6802Levenberg-Marquardt algorithm. The lmdif and lmder routines were written by
     6803Burton S. Garbow, Kenneth E. Hillstrom, Jorge J. More (Argonne National Laboratory,
     68041980). </p>
    66686805
    66696806<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo17'><![if !supportLists]><span
    … …  
    66716808Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    66726809</span></span></span><![endif]><b>Min delta-M/M </b>- A refinement will stop
    6673 when the change in the minimization function (M=Σ[w(Io-<span class=SpellE>Ic</span>)<sup>2</sup>])
    6674 is less than this value. The allowed range is 10<sup>-9</sup> to 1.0, with a
     6810when the change in the minimization function (M=Σ[w(Io-Ic)<sup>2</sup>]) is
     6811less than this value. The allowed range is 10<sup>-9</sup> to 1.0, with a
    66756812default of 0.001. A value of 1.0 stops the refinement after a single cycle.
    66766813Values less than 10<sup>-4</sup> cause refinements to continue even if there is
    … …  
    66916828elements of the Hessian. When λ is large, this down-weights the significance of
    66926829the off-diagonal terms in the Hessian. Thus, when λ is large, the refinement is
    6693 effectively one of <span class=GramE>steepest-descents</span>, where
    6694 correlation between variables is ignored. Note that steepest-descents
    6695 minimization is typically slow and may not always find the local minimum. This
    6696 is only used when with the &quot;analytical Hessian&quot; minimizer is
    6697 selected. </p>
     6830effectively one of steepest-descents, where correlation between variables is
     6831ignored. Note that steepest-descents minimization is typically slow and may not
     6832always find the local minimum. This is only used when with the &quot;analytical
     6833Hessian&quot; minimizer is selected. </p>
    66986834
    66996835<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><![if !supportLists]><span
    … …  
    67296865style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    67306866Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    6731 </span></span></span><![endif]><b>Min <span class=SpellE>obs</span>/sig</b> -
    6732 Conventional cutoff for single crystal refinements as to what reflections
    6733 should be considered observed, typical values are 2.0 (2σ) or 3.0 (3σ). </p>
     6867</span></span></span><![endif]><b>Min obs/sig</b> - Conventional cutoff for
     6868single crystal refinements as to what reflections should be considered
     6869observed, typical values are 2.0 (2σ) or 3.0 (3σ). </p>
    67346870
    67356871<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><![if !supportLists]><span
    67366872style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    67376873Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    6738 </span></span></span><![endif]><b>Min extinct.</b> – Reflections with
    6739 extinction corrections larger than this value are ignored.</p>
     6874</span></span></span><![endif]><b>Min extinct.</b> – Reflections with extinction
     6875corrections larger than this value are ignored.</p>
    67406876
    67416877<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><![if !supportLists]><span
    … …  
    67436879Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    67446880</span></span></span><![endif]><b>Max delt-F/sig</b> - Removes reflections that
    6745 are very poorly fit. Should be used only with extreme care, since <span
    6746 class=GramE>poorly-fit</span> reflections could be an indication that the
    6747 structure is wrong. </p>
     6881are very poorly fit. Should be used only with extreme care, since poorly-fit
     6882reflections could be an indication that the structure is wrong. </p>
    67486883
    67496884<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l27 level1 lfo19'><![if !supportLists]><span
    … …  
    67636898style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span><![endif]><b><u>Sequential
    67646899Settings</u></b><u>:</u> A set of controls is for sequential refinement.
    6765 Settings here determine if a &quot;normal&quot; or &quot;sequential&quot; refinement
    6766 is performed. If no datasets are selected here, then all histograms linked to
    6767 phases in the project and that are flagged as &quot;used&quot; are included in
    6768 one potentially large (combined) refinement. However, if any number of
    6769 histograms are selected here, then a sequential refinement is performed, where
    6770 a fit is made to the structural model(s) fitting each selected histogram in
    6771 turn. Only the first item below is shown in &quot;normal&quot; mode. <span
     6900Settings here determine if a &quot;normal&quot; or &quot;sequential&quot;
     6901refinement is performed. If no datasets are selected here, then all histograms
     6902linked to phases in the project and that are flagged as &quot;used&quot; are
     6903included in one potentially large (combined) refinement. However, if any number
     6904of histograms are selected here, then a sequential refinement is performed,
     6905where a fit is made to the structural model(s) fitting each selected histogram
     6906in turn. Only the first item below is shown in &quot;normal&quot; mode. <span
    67726907style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    67736908
    … …  
    67796914between a normal and a sequential refinement. If one or more histograms are
    67806915selected, a sequential refinement is used. If none are selected, then the
    6781 refinement be set as &quot;normal&quot;. The button is labeled &quot;Select&quot;
    6782 when in normal refinement mode and &quot;Reselect&quot; in sequential
    6783 refinement mode. </p>
     6916refinement be set as &quot;normal&quot;. The button is labeled
     6917&quot;Select&quot; when in normal refinement mode and &quot;Reselect&quot; in
     6918sequential refinement mode. </p>
    67846919
    67856920<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo20'><![if !supportLists]><span
    … …  
    67996934the results from fitting the previous. This works well for parametric
    68006935experiments where parameters such as the lattice parameters change gradually
    6801 over the course of successive measurements. This option is usually used only for
    6802 the initial refinement after a sequential fit is started and the setting is
     6936over the course of successive measurements. This option is usually used only
     6937for the initial refinement after a sequential fit is started and the setting is
    68036938cleared once that refinement is completed. For subsequent refinements, it is
    68046939usually better to start with the results from the previous fit. </p>
    … …  
    68146949style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    68156950</span></span><![endif]><b><u>Global Settings</u></b><u>:</u> This is a
    6816 location for parameters that apply to an entire project. At present there is
    6817 only one. <span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
     6951location for parameters that apply to an entire project. At present there is only
     6952one. <span style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:
    68186953minor-fareast'><o:p></o:p></span></p>
    68196954
    … …  
    68546989Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    68556990</span></span></span><![endif]>Move the mouse cursor across the plot. If on a
    6856 diagonal cell, the parameter name, value and <span class=SpellE>esd</span> is
    6857 shown both as a tool tip and in the right-hand portion of the status bar. If
    6858 the cursor is off the diagonal, the two parameter names and their covariance
    6859 are shown in the tool tip and the status bar. </p>
     6991diagonal cell, the parameter name, value and esd is shown both as a tool tip
     6992and in the right-hand portion of the status bar. If the cursor is off the
     6993diagonal, the two parameter names and their covariance are shown in the tool
     6994tip and the status bar. </p>
    68606995
    68616996<p style='margin-left:.5in;text-indent:-.25in;mso-list:l22 level1 lfo21'><![if !supportLists]><span
    … …  
    68707005</span></span></span><![endif]>Press ‘s’ – A color scheme selection dialog is
    68717006shown. Select a color scheme and press OK, the new color scheme will be
    6872 plotted. The default is ‘<span class=SpellE>RdYlGn</span>’. </p>
     7007plotted. The default is ‘RdYlGn’. </p>
    68737008
    68747009<p style='margin-left:.5in;text-indent:-.25in;mso-list:l22 level1 lfo21'><![if !supportLists]><span
    … …  
    68837018
    68847019<p class=MsoNormal>This window shows the constraints to be used in a
    6885 refinement. Constraints are divided with a tab for each type: Phase, Histogram/Phase,
    6886 Histogram, Global and <span class=SpellE>Sym</span>-Generated. Note that the
    6887 standard parameters in GSAS-II are divided into three classes and appear
    6888 respectively on the Phase, Histogram and Histogram/Phase tabs: <span
    6889 style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    6890 
    6891 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo45;
     7020refinement. Constraints are divided with a tab for each type: Phase,
     7021Histogram/Phase, Histogram, Global and Sym-Generated. Note that the standard
     7022parameters in GSAS-II are divided into three classes and appear respectively on
     7023the Phase, Histogram and Histogram/Phase tabs: <span style='mso-fareast-font-family:
     7024"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
     7025
     7026<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l26 level1 lfo22;
    68927027tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    68937028mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    68957030style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    68967031</span></span></span><![endif]>those pertaining to quantities in each phase
    6897 (naming pattern &quot;<span class=GramE><tt><i><span style='font-size:10.0pt'>p</span></i></tt><tt><span
    6898 style='font-size:10.0pt'>::</span></tt></span><tt><i><span style='font-size:
    6899 10.0pt'>name</span></i></tt>&quot;); examples include atom coordinates, thermal
    6900 motion and site fraction parameters; </p>
    6901 
    6902 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo45;
     7032(naming pattern &quot;<tt><i><span style='font-size:10.0pt'>p</span></i></tt><tt><span
     7033style='font-size:10.0pt'>::<i>name</i></span></tt>&quot;); examples include
     7034atom coordinates, thermal motion and site fraction parameters; </p>
     7035
     7036<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l26 level1 lfo22;
    69037037tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    69047038mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    69067040style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    69077041</span></span></span><![endif]>those pertaining to quantities in each histogram
    6908 (naming pattern &quot;:<span class=SpellE><tt><i><span style='font-size:10.0pt'>h</span></i></tt><tt><span
    6909 style='font-size:10.0pt'>:<i>name</i></span></tt></span>&quot;); such
    6910 parameters are those that depend only on the data set: the scale factor and
    6911 profile coefficients (<span class=GramE>e.g.</span> U, V, W, X and Y); </p>
    6912 
    6913 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l26 level1 lfo45;
     7042(naming pattern &quot;:<tt><i><span style='font-size:10.0pt'>h</span></i></tt><tt><span
     7043style='font-size:10.0pt'>:<i>name</i></span></tt>&quot;); such parameters are
     7044those that depend only on the data set: the scale factor and profile coefficients
     7045(e.g. U, V, W, X and Y); </p>
     7046
     7047<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l26 level1 lfo22;
    69147048tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    69157049mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    69217055these parameters are quantities that can be dependent on both the phase
    69227056properties and the sample or dataset used for the measurement. Examples include
    6923 phase fractions and sample-broadening coefficients such as <span class=SpellE>microstrain</span>
    6924 and crystallite size; they are found in the Data tab for each phase.</p>
     7057phase fractions and sample-broadening coefficients such as microstrain and
     7058crystallite size; they are found in the Data tab for each phase.</p>
    69257059
    69267060<p class=MsoNormal>The following types of constraints may be specified by
    … …  
    69287062minor-fareast'><o:p></o:p></span></p>
    69297063
    6930 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l41 level1 lfo22'><![if !supportLists]><span
     7064<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l43 level1 lfo23'><![if !supportLists]><span
    69317065style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    69327066Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    69407074the structure from drifting up or down the y-axis during refinement. </p>
    69417075
    6942 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l41 level1 lfo22'><![if !supportLists]><span
     7076<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l43 level1 lfo23'><![if !supportLists]><span
    69437077style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    69447078Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    69487082the actual coordinate values) Examples for typical use are sets of atoms that
    69497083should be constrained to have the same displacement parameters (aka thermal
    6950 motion, <span class=SpellE>Uiso</span>, etc.) or sets of profile coefficients <span
    6951 class=GramE>U,V</span>,W across multiple data sets. Note that the first
    6952 selected parameter is treated as independent, and the remainder are
    6953 &quot;slaved&quot; to that parameter as &quot;dependent parameters.&quot; All
    6954 parameters in an equivalence must be varied. If any parameter is not varied or
    6955 is given a &quot;hold,&quot; a warning is displayed and none of the parameters
    6956 are refined. </p>
    6957 
    6958 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l41 level1 lfo22'><![if !supportLists]><span
     7084motion, Uiso, etc.) or sets of profile coefficients U,V,W across multiple data
     7085sets. Note that the first selected parameter is treated as independent, and the
     7086remainder are &quot;slaved&quot; to that parameter as &quot;dependent
     7087parameters.&quot; All parameters in an equivalence must be varied. If any parameter
     7088is not varied or is given a &quot;hold,&quot; a warning is displayed and none
     7089of the parameters are refined. </p>
     7090
     7091<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l43 level1 lfo23'><![if !supportLists]><span
    69597092style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    69607093Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    69707103the equation is ignored. </p>
    69717104
    6972 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l41 level1 lfo22'><![if !supportLists]><span
    6973 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    6974 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    6975 </span></span></span><![endif]><b>New Var assignment</b> - These are <span
    6976 class=GramE>similar to</span> constraint equations in that they define a set of
    6977 parameters and multipliers, but rather than specifying a value for the
    6978 expression, a new parameter is assigned to that sum and these constraints have
    6979 a very different function. This replaces a degree of freedom from the original
    6980 variables with a new one that modifies the parameters where the shift is
    6981 applied according to the ratio specified in the expression. This can be used to
    6982 create new parameters that redefine the relationships between items such as
    6983 coordinates or magnetic moments. The new parameter may optionally be named by
    6984 the user. The new var expression creates a new global parameter, where that new
    6985 parameter is independent, while all the parameters in the expression are
    6986 considered as dependent. The setting of the refine flags for the dependent
    6987 parameters is not used. Only if the new var parameter is marked as refine then
    6988 it will be refined. However, if any dependent variable is set as
    6989 &quot;hold,&quot; the new var parameter will not be refined. </p>
     7105<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l43 level1 lfo23'><![if !supportLists]><span
     7106style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7107Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7108</span></span></span><![endif]><b>New Var assignment</b> - These are similar to
     7109constraint equations in that they define a set of parameters and multipliers,
     7110but rather than specifying a value for the expression, a new parameter is
     7111assigned to that sum and these constraints have a very different function. This
     7112replaces a degree of freedom from the original variables with a new one that
     7113modifies the parameters where the shift is applied according to the ratio
     7114specified in the expression. This can be used to create new parameters that redefine
     7115the relationships between items such as coordinates or magnetic moments. The
     7116new parameter may optionally be named by the user. The new var expression
     7117creates a new global parameter, where that new parameter is independent, while
     7118all the parameters in the expression are considered as dependent. The setting
     7119of the refine flags for the dependent parameters is not used. Only if the new
     7120var parameter is marked as refine then it will be refined. However, if any
     7121dependent variable is set as &quot;hold,&quot; the new var parameter will not
     7122be refined. </p>
    69907123
    69917124<p class=MsoNormal>Note that when new var and constraint equation constraints
    69927125are defined, they create new global parameters. Constraints on these will be
    6993 rare, but can be managed on the <span class=SpellE>Globals</span> tab. Finally,
    6994 some constraints are defined automatically based on restrictions determined by
    6995 space group symmetry. These constraints can be seen, but not changed, using the
    6996 <span class=SpellE>Sym</span>-Generated tab. Other constraints (holds) will be
    6997 created when rigid bodies are specified. <span style='mso-fareast-font-family:
    6998 "Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
     7126rare, but can be managed on the Globals tab. Finally, some constraints are
     7127defined automatically based on restrictions determined by space group symmetry.
     7128These constraints can be seen, but not changed, using the Sym-Generated tab.
     7129Other constraints (holds) will be created when rigid bodies are specified. <span
     7130style='mso-fareast-font-family:"Times New Roman";mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    69997131
    70007132<p class=MsoNormal>New Var constraints are generated when <a
    70017133href="https://iso.byu.edu/iso/isodistort.php">ISODISTORT</a> is used to develop
    7002 mode distortions from a comparison of a high symmetry parent structure (<span
    7003 class=GramE>e.g.</span> cubic perovskite) with a distorted child substructure.
    7004 They are developed for the phase imported from the special <span class=SpellE>cif</span>
    7005 file produced by ISODISTORT from a mode distortion analysis. </p>
     7134mode distortions from a comparison of a high symmetry parent structure (e.g.
     7135cubic perovskite) with a distorted child substructure. They are developed for
     7136the phase imported from the special cif file produced by ISODISTORT from a mode
     7137distortion analysis. </p>
    70067138
    70077139<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    … …  
    70117143commands:</p>
    70127144
    7013 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7145<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70147146style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70157147Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    70207152with the keyword ‘FIXED’. </p>
    70217153
    7022 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7154<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70237155style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70247156Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    70297161parameters will show as an equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>=0;
    70307162usually M1=1.0 and M2=-1.0 but can be changed via the ‘Edit’ button. The
    7031 equation(s) are shown in the window tagged by ‘EQUIV’ to mark it as an
    7032 equivalence assignment. </p>
    7033 
    7034 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7163equation(s) are shown in the window tagged by ‘EQUIV’ to mark it as an equivalence
     7164assignment. </p>
     7165
     7166<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70357167style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70367168Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    70417173dialog will cancel the operation. The equivalenced parameters will show as an
    70427174equation of the form M<sub>1</sub>*P<sub>1</sub>+M<sub>2</sub>*P<sub>2</sub>+…=C;
    7043 the multipliers M1, M2, … and C can be changed via the ‘Edit’ button. The equation
    7044 is shown in the window tagged by ‘CONSTR’ to mark it as a constraint equation
    7045 assignment. </p>
    7046 
    7047 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7175the multipliers M1, M2, … and C can be changed via the ‘Edit’ button. The
     7176equation is shown in the window tagged by ‘CONSTR’ to mark it as a constraint
     7177equation assignment. </p>
     7178
     7179<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70487180style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70497181Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    70557187constraint. </p>
    70567188
    7057 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7189<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70587190style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70597191Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    70607192</span></span></span><![endif]><b>Make atoms equivalent</b> - This provides a
    70617193shortcut for establishing constraints when two share a single site. Coordinates
    7062 and <span class=SpellE>Uiso</span> values are constrained to be the same and
    7063 site fractions are constrained to add to 1. </p>
    7064 
    7065 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l3 level1 lfo23'><![if !supportLists]><span
     7194and Uiso values are constrained to be the same and site fractions are
     7195constrained to add to 1. </p>
     7196
     7197<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l3 level1 lfo24'><![if !supportLists]><span
    70667198style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    70677199Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    70747206mso-fareast-theme-font:minor-fareast'><o:p></o:p></span></p>
    70757207
    7076 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     7208<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo25;
    70777209tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    70787210mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    70837215are encountered processing the constraints. </p>
    70847216
    7085 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     7217<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo25;
    70867218tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    70877219mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    70947226what was planned. </p>
    70957227
    7096 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     7228<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo25;
    70977229tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    70987230mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    71067238&quot;Hold&quot; variables. </p>
    71077239
    7108 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo24;
     7240<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo25;
    71097241tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    71107242mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    71237255a particular constraint number. When sequential refinement is selected (via the
    71247256<a href="#Controls">Controls tree item</a>), it becomes possible to define
    7125 constraints of form &quot;<span class=GramE><tt><i><span style='font-size:10.0pt'>p</span></i></tt>:*</span>:<tt><i><span
     7257constraints of form &quot;<tt><i><span style='font-size:10.0pt'>p</span></i></tt>:*:<tt><i><span
    71267258style='font-size:10.0pt'>name</span></i></tt>&quot; and &quot;:*:<tt><i><span
    71277259style='font-size:10.0pt'>name</span></i></tt>&quot; (where &quot;<tt><i><span
    … …  
    71397271modes: </p>
    71407272
    7141 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo25'><![if !supportLists]><span
     7273<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo26'><![if !supportLists]><span
    71427274style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    71437275Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    71467278to all histograms. This is the default for new projects. </p>
    71477279
    7148 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo25'><![if !supportLists]><span
     7280<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo26'><![if !supportLists]><span
    71497281style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    71507282Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    71527284previously specified with a specific histogram number will be ignored and
    71537285constraints with a &quot;*&quot; where for a histogram number will be used.
    7154 Note that constraints on phase parameters (of form &quot;<span class=GramE><tt><i><span
    7155 style='font-size:10.0pt'>p</span></i></tt>::</span><tt><i><span
    7156 style='font-size:10.0pt'>name</span></i></tt>&quot; -- without a histogram
    7157 number specified) will be used normally. Note that this was the normal
    7158 operating mode for GSAS-II in earlier versions. </p>
    7159 
    7160 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l12 level1 lfo25'><![if !supportLists]><span
     7286Note that constraints on phase parameters (of form &quot;<tt><i><span
     7287style='font-size:10.0pt'>p</span></i></tt>::<tt><i><span style='font-size:10.0pt'>name</span></i></tt>&quot;
     7288-- without a histogram number specified) will be used normally. Note that this
     7289was the normal operating mode for GSAS-II in earlier versions. </p>
     7290
     7291<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l12 level1 lfo26'><![if !supportLists]><span
    71617292style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    71627293Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    71867317style='mso-tab-count:1'> </span><o:p></o:p></span></h5>
    71877318
    7188 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
    7189 style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    7190 Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    7191 </span></span></span><![endif]>Select the tab for the restraint type you wish
    7192 to use. Each will have the same possibilities in the ‘<b style='mso-bidi-font-weight:
     7319<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
     7320style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7321Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7322</span></span></span><![endif]>Select the tab for the restraint type you wish to
     7323use. Each will have the same possibilities in the ‘<b style='mso-bidi-font-weight:
    71937324normal'>Edit’</b> menu.</p>
    71947325
    7195 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
     7326<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
    71967327style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    71977328Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    720173321.0.</p>
    72027333
    7203 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
     7334<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
    72047335style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    72057336Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    72077338in subsequent refinements. Default is to use the restraints.</p>
    72087339
    7209 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
     7340<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
    72107341style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    72117342Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    72137344bonds/angles that meet your criteria for restraint.</p>
    72147345
    7215 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
     7346<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
    72167347style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    72177348Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    72187349</span></span></span><![endif]>You can examine the table of restraints and
    72197350change individual values; grayed out regions cannot be changed. The ‘calc’
    7220 values are determined from the atom positions in your structure, ‘<span
    7221 class=SpellE>obs</span>’ values are the target values for the restraint and ‘<span
    7222 class=SpellE>esd</span>’ is the uncertainty used to weight the restraint in the
    7223 refinement (multiplied by the weight factor).</p>
    7224 
    7225 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l50 level1 lfo26'><![if !supportLists]><span
     7351values are determined from the atom positions in your structure, ‘obs’ values
     7352are the target values for the restraint and ‘esd’ is the uncertainty used to
     7353weight the restraint in the refinement (multiplied by the weight factor).</p>
     7354
     7355<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l52 level1 lfo27'><![if !supportLists]><span
    72267356style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    72277357Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    72317361
    72327362<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7233 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7363auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72347364style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72357365style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    72367366</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add
    7237 restraints</b> – this takes you through a sequence of dialog boxes which ask for
    7238 the identities of the atoms involved in the restraint and the value to be
    7239 assigned to the restraint. The <span class=SpellE>esd</span> is given a default
    7240 value which can be changed after the restraints are created.</p>
     7367restraints</b> – this takes you through a sequence of dialog boxes which ask
     7368for the identities of the atoms involved in the restraint and the value to be
     7369assigned to the restraint. The esd is given a default value which can be
     7370changed after the restraints are created.</p>
    72417371
    72427372<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7243 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7373auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72447374style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72457375style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    72477377residue restraints</b> – if the phase is a ‘macromolecule’ then develop the
    72487378restraints from a selected ‘macro’ file based on those used in GSAS for this
    7249 purpose. A file dialog box is shown directed to /<span class=SpellE>GSASIImacros</span>;
    7250 be sure to select the correct file.</p>
     7379purpose. A file dialog box is shown directed to /GSASIImacros; be sure to
     7380select the correct file.</p>
    72517381
    72527382<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7253 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7383auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72547384style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72557385style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    72587388
    72597389<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7260 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7390auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72617391style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72627392style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    72757405
    72767406<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7277 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7407auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72787408style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72797409style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    72807410</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Change
    7281 value</b> – this changes the ‘<span class=SpellE>obsd</span>’ value for
    7282 selected restraints; a dialog box will appear asking for the new value. </p>
     7411value</b> – this changes the ‘obsd’ value for selected restraints; a dialog box
     7412will appear asking for the new value. </p>
    72837413
    72847414<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7285 auto;text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7415auto;text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72867416style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72877417style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    7288 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Change <span
    7289 class=SpellE>esd</span></b> – this changes the ‘<span class=SpellE>esd</span>’
    7290 value for selected restraints; a dialog box will appear asking for the new
    7291 value.</p>
     7418</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Change
     7419esd</b> – this changes the ‘esd’ value for selected restraints; a dialog box
     7420will appear asking for the new value.</p>
    72927421
    72937422<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    7294 text-indent:-.25in;mso-list:l50 level2 lfo26'><![if !supportLists]><span
     7423text-indent:-.25in;mso-list:l52 level2 lfo27'><![if !supportLists]><span
    72957424style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    72967425style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    73157444style='mso-tab-count:1'> </span><o:p></o:p></span></h5>
    73167445
    7317 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo27'><![if !supportLists]><span
     7446<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo28'><![if !supportLists]><span
    73187447style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    73197448Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    73227451normal'>Edit’</b> menu depending on whether a rigid body has been defined.</p>
    73237452
    7324 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo27'><![if !supportLists]><span
     7453<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo28'><![if !supportLists]><span
    73257454style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    73267455Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    73307459
    73317460<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7332 auto;text-indent:-.25in;mso-list:l7 level2 lfo27'><![if !supportLists]><span
     7461auto;text-indent:-.25in;mso-list:l7 level2 lfo28'><![if !supportLists]><span
    73337462style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    73347463style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    73357464</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Add rigid
    73367465body</b> – (Vector rigid bodies) this creates a vector description of a rigid
    7337 body. A dialog box asks the number of atoms (&gt;2) and the number of vectors
    7338 required to create the rigid body. An entry will be created showing a magnitude
    7339 with the vector set to be applied for each vector needed to develop the rigid
    7340 body.<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
     7466body. A dialog box asks the number of atoms (&gt;2) and the number of vectors required
     7467to create the rigid body. An entry will be created showing a magnitude with the
     7468vector set to be applied for each vector needed to develop the rigid body.<b
     7469style='mso-bidi-font-weight:normal'><o:p></o:p></b></p>
    73417470
    73427471<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7343 auto;text-indent:-.25in;mso-list:l7 level2 lfo27'><![if !supportLists]><span
     7472auto;text-indent:-.25in;mso-list:l7 level2 lfo28'><![if !supportLists]><span
    73447473style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    73457474style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    73467475</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Import
    73477476XYZ</b> – (Residue rigid bodies) this reads a text file containing a set of
    7348 Cartesian coordinates describing a rigid body model. Each line has atom type (<span
    7349 class=GramE>e.g.</span> C, Na, etc.) and Cartesian X, Y and Z.</p>
     7477Cartesian coordinates describing a rigid body model. Each line has atom type
     7478(e.g. C, Na, etc.) and Cartesian X, Y and Z.</p>
    73507479
    73517480<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7352 auto;text-indent:-.25in;mso-list:l7 level2 lfo27'><![if !supportLists]><span
     7481auto;text-indent:-.25in;mso-list:l7 level2 lfo28'><![if !supportLists]><span
    73537482style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    73547483style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    73617490
    73627491<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7363 auto;text-indent:-.25in;mso-list:l7 level2 lfo27'><![if !supportLists]><span
     7492auto;text-indent:-.25in;mso-list:l7 level2 lfo28'><![if !supportLists]><span
    73647493style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    73657494style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    73667495</span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Import
    73677496residues</b> – (Residue rigid bodies) this reads a predetermined macro file
    7368 that contains standard (<span class=SpellE>Engh</span> &amp; Huber) coordinates
    7369 for the amino acids found in natural proteins along with predetermined variable
    7370 torsion angle definitions.</p>
    7371 
    7372 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo27'><![if !supportLists]><span
     7497that contains standard (Engh &amp; Huber) coordinates for the amino acids found
     7498in natural proteins along with predetermined variable torsion angle
     7499definitions.</p>
     7500
     7501<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo28'><![if !supportLists]><span
    73737502style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    73747503Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    73757504</span></span></span><![endif]>Once a rigid body is defined you can plot it,
    7376 change its <span class=GramE>name</span> or manipulate any torsion angle to see
    7377 the effect on the plot.</p>
    7378 
    7379 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo27'><![if !supportLists]><span
     7505change its name or manipulate any torsion angle to see the effect on the plot.</p>
     7506
     7507<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo28'><![if !supportLists]><span
    73807508style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    73817509Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    73897517has been run. (See the <a href="#Controls">Controls tree item</a> to set the
    73907518histograms to be used in a sequential refinement and use the
    7391 Calculate/Sequential refine menu command to run the refinement.) <span
    7392 class=GramE>A number of</span> other fitting processes within GSAS-II can be
    7393 done sequentially, each will have its own differently named set of sequential
    7394 results When any one is selected, the window tabulates the sequential
    7395 refinement results. The columns are the parameter names; the naming convention
    7396 is generally ‘<span class=SpellE>p:h:<span class=GramE>name:n</span></span>’
    7397 where ‘p’ is the phase number,’ h’ is the histogram number, ‘name’ is the
    7398 parameter name, and ‘n’ (if needed) is the item number (e.g. atom number). The
    7399 rows are the data sets used in the sequential refinement.</p>
     7519Calculate/Sequential refine menu command to run the refinement.) A number of
     7520other fitting processes within GSAS-II can be done sequentially, each will have
     7521its own differently named set of sequential results When any one is selected,
     7522the window tabulates the sequential refinement results. The columns are the
     7523parameter names; the naming convention is generally ‘p:h:name:n’ where ‘p’ is
     7524the phase number,’ h’ is the histogram number, ‘name’ is the parameter name,
     7525and ‘n’ (if needed) is the item number (e.g. atom number). The rows are the
     7526data sets used in the sequential refinement.</p>
    74007527
    74017528<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    74027529
    7403 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7530<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    74047531style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    74057532Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    74087535left mouse button will display its powder data fit.</p>
    74097536
    7410 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7537<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    74117538style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    74127539Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    74167543subsequent picks) will plot all as individual curves.</p>
    74177544
    7418 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7545<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    74197546style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    74207547Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    74227549
    74237550<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7424 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7551auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74257552style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74267553style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74307557
    74317558<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7432 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7559auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74337560style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74347561style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74397566
    74407567<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7441 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7568auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74427569style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74437570style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    7444 </span></span></span><![endif]><b>Set phase <span class=SpellE>vals</span></b>
    7445 – same as previous except you can pick which parameters to update.</p>
     7571</span></span></span><![endif]><b>Set phase vals</b> – same as previous except
     7572you can pick which parameters to update.</p>
    74467573
    74477574<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7448 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7575auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74497576style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74507577style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74537580
    74547581<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7455 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7582auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74567583style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74577584style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74607587
    74617588<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7462 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7589auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74637590style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74647591style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74677594
    74687595<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7469 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7596auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74707597style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74717598style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74747601
    74757602<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7476 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7603auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74777604style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74787605style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    7479 </span></span></span><![endif]><b>Compute average</b> – gives average(<span
    7480 class=SpellE>esd</span>) for selected column values.</p>
     7606</span></span></span><![endif]><b>Compute average</b> – gives average(esd) for
     7607selected column values.</p>
    74817608
    74827609<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7483 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7610auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74847611style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74857612style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74897616
    74907617<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7491 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7618auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    74927619style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    74937620style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    74957622all table entries.</p>
    74967623
    7497 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7624<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    74987625style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    74997626Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    75047631
    75057632<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7506 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7633auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75077634style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75087635style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75117638
    75127639<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7513 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7640auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75147641style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75157642style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75187645
    75197646<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7520 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7647auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75217648style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75227649style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75257652
    75267653<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7527 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7654auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75287655style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75297656style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75327659
    75337660<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7534 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7661auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75357662style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75367663style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75387665– to change a selected formula.</p>
    75397666
    7540 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7667<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    75417668style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    75427669Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    75477674
    75487675<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7549 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7676auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75507677style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75517678style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    75527679</span></span></span><![endif]><b>Add equation</b><span style='mso-bidi-font-weight:
    75537680bold'> – add a parametric fitting equation. At the end of this step, it will be
    7554 used to give refined values of the coefficients with <span class=SpellE>esds</span>
    7555 based of a full error propagation from the variance-covariance matrices from
    7556 the individual refinements.</span></p>
     7681used to give refined values of the coefficients with esds based of a full error
     7682propagation from the variance-covariance matrices from the individual
     7683refinements.</span></p>
    75577684
    75587685<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7559 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7686auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75607687style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75617688style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75647691
    75657692<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7566 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7693auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75677694style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75687695style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75717698
    75727699<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7573 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7700auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75747701style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75757702style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75787705
    75797706<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7580 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7707auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75817708style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75827709style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    75847711bold'> – do the fitting of the parametric equations to the data.</span></p>
    75857712
    7586 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l57 level1 lfo28'><![if !supportLists]><span
     7713<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l59 level1 lfo29'><![if !supportLists]><span
    75877714style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
    75887715Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    … …  
    75917718
    75927719<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7593 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7720auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    75947721style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    75957722style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    75967723</span></span></span><![endif]><b>Project as</b> – <span style='mso-bidi-font-weight:
    7597 bold'>only choice is as a full <span class=SpellE>cif</span> file.</span></p>
     7724bold'>only choice is as a full cif file.</span></p>
    75987725
    75997726<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7600 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7727auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    76017728style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    76027729style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    7603 </span></span></span><![endif]><b>Phase as</b> – either a “quick’ <span
    7604 class=SpellE>cif</span> or a CSV file</p>
     7730</span></span></span><![endif]><b>Phase as</b> – either a “quick’ cif or a CSV
     7731file</p>
    76057732
    76067733<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    7607 auto;text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7734auto;text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    76087735style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    76097736style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    7610 </span></span></span><![endif]><b>Powder as</b> – either a powder pattern <span
    7611 class=SpellE>cif</span>, a histogram CSV file or a reflection list CSV file.</p>
     7737</span></span></span><![endif]><b>Powder as</b> – either a powder pattern cif,
     7738a histogram CSV file or a reflection list CSV file.</p>
    76127739
    76137740<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    7614 text-indent:-.25in;mso-list:l57 level2 lfo28'><![if !supportLists]><span
     7741text-indent:-.25in;mso-list:l59 level2 lfo29'><![if !supportLists]><span
    76157742style='font-family:"Courier New";mso-fareast-font-family:"Courier New"'><span
    76167743style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
    … …  
    76267753error from the fit for that value. There are some key commands:</p>
    76277754
    7628 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo46;
     7755<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 level1 lfo30;
    76297756tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    76307757mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    76347761lines between the data points</p>
    76357762
    7636 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo46;
     7763<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 level1 lfo30;
    76377764tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    76387765mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    76417768</span></span></span><![endif]>Press ‘s’ – this presents a choice of parameters
    76427769from the table columns to be used for the x-axis. Typically, this is used to
    7643 show parameter variation with <span class=GramE>e.g.</span> temperature.</p>
    7644 
    7645 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo46;
     7770show parameter variation with e.g. temperature.</p>
     7771
     7772<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 level1 lfo30;
    76467773tab-stops:list .5in'><![if !supportLists]><span style='font-size:10.0pt;
    76477774mso-bidi-font-size:12.0pt;font-family:Symbol;mso-fareast-font-family:Symbol;
    … …  
    76517778titles of the plot.</p>
    76527779
     7780<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     7781
     7782<h4><a name=Programmers></a><a name="Cluster_Analysis"><span style='mso-bookmark:
     7783Programmers'>Cluster Analysis</span></a></h4>
     7784
     7785<span style='mso-bookmark:Programmers'></span><span style='mso-bookmark:Cluster_Analysis'></span>
     7786
     7787<p class=MsoNormal>Cluster analysis is a suite of data survey techniques where
     7788data are grouped by some measure of their similarity. Thus, it can be used as a
     7789preliminary survey of a large number of data sets in e.g. preparation of
     7790detailed examination of representative members. In the case of powder
     7791diffraction pattern (PWDR) data or pair distribution (PDF) data, their
     7792similarity is determined by considering each pattern as a hyper-dimensional
     7793vector with one dimension for each data point and then computing some measure
     7794of how parallel pairs of these vectors are. Consequently, it can be used to
     7795survey PWDR data entries that have identical scan characteristics (e.g.
     7796instrument type, step size, radiation type, wavelength) or multiple PDF G(R)
     7797entries created with the same step sizes and using the same radiation from data
     7798collected with identical instrument configurations. Cluster analysis is
     7799available in GSAS-II after it is initiated by the main menu command <b><span
     7800style='font-family:"Calibri",sans-serif;mso-ascii-theme-font:minor-latin;
     7801mso-hansi-theme-font:minor-latin;mso-bidi-theme-font:minor-latin'>Calculate/Setup
     7802Cluster Analysis. </span></b>The cluster analysis routines used here are from
     7803the scipy library and (if available) the scikit-learn library.<span
     7804style='mso-spacerun:yes'>  </span>If scikit-learn is absent, an attempt is
     7805automatically made to install the latter via the conda system from Anaconda.
     7806The scipy library provides some cluster analysis tools while the scikit-learn
     7807package provides others. If you use results from scikit-learn, please cite the
     7808following in any publication that uses it:</p>
     7809
     7810<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     7811
     7812<p class=MsoNormal>“Scikit-learn: Machine Learning in Python”, Pedregosa, F.,
     7813Varoquaux, G., Gramfort, A., Michel, V., Thirion, B., Grisel, O., Blondel, M.,
     7814Prettenhofer, P., Weiss, R., Dubourg, V., Vanderplas, J., Passos, A.,
     7815Cournapeau, D., Brucher, M., Perrot, M. and Duchesnay, E., (2011).</p>
     7816
     7817<p class=MsoNormal><span style='mso-spacerun:yes'> </span>Journal of Machine
     7818Learning Research 12, 2825-2830.</p>
     7819
     7820<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     7821
     7822<p class=MsoNormal>Doing cluster analysis in GSAS-II requires several steps;
     7823new steps will become visible in the GUI as previous ones are completed. Redoing
     7824earlier steps may clear subsequent ones. In order of their appearance, the
     7825following GUI commands are:</p>
     7826
     7827<p class=MsoNormal><o:p>&nbsp;</o:p></p>
     7828
     7829<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l39 level1 lfo31'><![if !supportLists]><span
     7830style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7831Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7832</span></span></span><![endif]><b>Select datasets</b> – this brings up a
     7833selection tool for PWDR (&amp; PDF, if present) entries in the GSAS-II data tree.
     7834Your selection must be either PWDR or PDF data; otherwise there is no check on
     7835data similarity so be careful with your selections. Multi-bank TOF data should
     7836not be mixed for cluster analysis nor should laboratory and synchrotron data.
     7837Cluster analysis on fewer than 5-10 data sets is probably not useful but should
     7838be used when you have dozens or even hundreds of data sets.</p>
     7839
     7840<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l39 level1 lfo31'><![if !supportLists]><span
     7841style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7842Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7843</span></span></span><![endif]><b>Data limits </b>– selection of data is
     7844followed by entries for the minimum and maximum data limits; the defaults are
     7845taken from the data Limits imposed on the original PWDR data or the r-range for
     7846the PDF G(R) data. The units are degrees 2<span style='font-family:Symbol;
     7847mso-ascii-font-family:"Times New Roman";mso-hansi-font-family:"Times New Roman";
     7848mso-char-type:symbol;mso-symbol-font-family:Symbol'><span style='mso-char-type:
     7849symbol;mso-symbol-font-family:Symbol'>Q</span></span>, TOF in μs, or <span
     7850style='font-family:"Calibri",sans-serif'>Å, </span>as appropriate. Refer to any
     7851PWDR (or PDF) plot to select these values; leading background should be
     7852skipped, and the upper limit chosen from a relatively clear point where there
     7853are still significant peaks. Values will be used to give the cluster analysis
     7854input data matrix size.</p>
     7855
     7856<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l39 level1 lfo31'><![if !supportLists]><span
     7857style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7858Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7859</span></span></span><![endif]><b>Make Cluster Analysis data array </b>– this
     7860button forms the data matrix for cluster analysis; it is number of data sets
     7861times number of data points between the limits in size. the next item will
     7862appear in the GUI.</p>
     7863
     7864<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l39 level1 lfo31'><![if !supportLists]><span
     7865style='font-family:Symbol;mso-fareast-font-family:Symbol;mso-bidi-font-family:
     7866Symbol'><span style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     7867</span></span></span><![endif]><b>Select cluster analysis distance method </b>–
     7868there are several choices as what is meant by “distance” between all pairwise
     7869selection of data vectors (u &amp; v). They are (as taken from scipy):</p>
     7870
     7871<p style='margin-top:0in;margin-right:0in;margin-bottom:5.0pt;margin-left:1.0in;
     7872text-indent:-.25in;mso-list:l39 level2 lfo31;background:white'><![if !supportLists]><span
     7873style='font-family:"Courier New";mso-fareast-font-family:"Courier New";
     7874color:#4A4A4A;mso-color-alt:windowtext'><span style='mso-list:Ignore'>o<span
     7875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp; </span></span></span><![endif]><b><span
     7876style='color:black;mso-color-alt:windowtext'>braycurtis – </span></b><span
     7877style='color:#4A4A4A'>Computes the Bray-Curtis distance between the data
     7878vectors as<o:p></o:p></span></p>
     7879
     7880<p style='margin-top:0in;margin-right:0in;margin-bottom:5.0pt;margin-left:1.0in;
     7881background:white'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc
     7882   m:val="left"/></m:oMathParaPr><m:oMath><i style='mso-bidi-font-style:normal'><span
     7883  style='font-family:"Cambria Math",serif;color:#4A4A4A'><svg xmlns:xlink="http://www.w3.org/1999/xlink" width="22.282ex" height="6.305ex" viewBox="0 -1606.2 9593.7 2714.6" role="img" focusable="false" style="vertical-align: -2.574ex;" aria-hidden="true"><g stroke="currentColor" fill="currentColor" stroke-width="0" transform="matrix(1 0 0 -1 0 0)"><use xlink:href="#MJMATHI-64" x="0" y="0"></use><use xlink:href="#MJMAIN-28" x="523" y="0"></use><use xlink:href="#MJMATHI-75" x="913" y="0"></use><use xlink:href="#MJMAIN-2C" x="1485" y="0"></use><use xlink:href="#MJMATHI-76" x="1930" y="0"></use><use xlink:href="#MJMAIN-29" x="2416" y="0"></use><use xlink:href="#MJMAIN-3D" x="3083" y="0"></use><g transform="translate(3861,0)"><g transform="translate(397,0)"><rect stroke="none" width="5214" height="60" x="0" y="220"></rect><g transform="translate(60,773)"><use xlink:href="#MJSZ1-2211" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="1494" y="-405"></use><g transform="translate(1567,0)"><use xlink:href="#MJMAIN-7C" x="0" y="0"></use><g transform="translate(278,0)"><use xlink:href="#MJMATHI-75" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="809" y="-213"></use></g><use xlink:href="#MJMAIN-2212" x="1417" y="0"></use><g transform="translate(2418,0)"><use xlink:href="#MJMATHI-76" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="686" y="-213"></use></g><use xlink:href="#MJMAIN-7C" x="3248" y="0"></use></g></g><g transform="translate(60,-730)"><use xlink:href="#MJSZ1-2211" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="1494" y="-405"></use><g transform="translate(1567,0)"><use xlink:href="#MJMAIN-7C" x="0" y="0"></use><g transform="translate(278,0)"><use xlink:href="#MJMATHI-75" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="809" y="-213"></use></g><use xlink:href="#MJMAIN-2B" x="1417" y="0"></use><g transform="translate(2418,0)"><use xlink:href="#MJMATHI-76" x="0" y="0"></use><use transform="scale(0.707)" xlink:href="#MJMATHI-69" x="686" y="-213"></use></g><use xlink:href="#MJMAIN-7C" x="3248" y="0"></use></g></g></g></g></g></svg><span
     7884  role=presentation style='box-sizing: border-box;user-select: none;transition: none 0s ease 0s;
     7885  clip:rect(1px, 1px, 1px, 1px);overflow:hidden'><m:r><math xmlns="http://www.w3.org/1998/Math/MathML" display="block"><mi><span
     7886   tabindex=0 data-mathml="&lt;math xmlns=&quot;http://www.w3.org/1998/Math/MathML&quot; display=&quot;block&quot;&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;mo stretchy=&quot;false&quot;&gt;(&lt;/mo&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mo stretchy=&quot;false&quot;&gt;)&lt;/mo&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mfrac&gt;&lt;mrow&gt;&lt;munder&gt;&lt;mo&gt;&amp;#x2211;&lt;/mo&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/munder&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;msub&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;&amp;#x2212;&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;munder&gt;&lt;mo&gt;&amp;#x2211;&lt;/mo&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/munder&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;msub&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mfrac&gt;&lt;/math&gt;"
     7887   role=presentation style='box-sizing: border-box;display:inline-block;
     7888   overflow-wrap: normal;max-width:none;max-height: none;min-width: 0px;
     7889   min-height: 0px;float:none;word-spacing:normal' id=MathJax-Element-27-Frame>d</span></m:r></span></span></i><m:d><m:dPr><span
     7890    style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7891    mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7892    mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i
     7893    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7894    color:#4A4A4A'><m:r>u</m:r><m:r>,</m:r><m:r>v</m:r></span></i></m:e></m:d><i
     7895  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7896  color:#4A4A4A'><m:r>= </m:r></span></i><m:f><m:fPr><span style='font-family:
     7897    "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:
     7898    "Cambria Math";color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:nary><m:naryPr><m:chr
     7899       m:val="∑"/><m:limLoc m:val="subSup"/><m:supHide m:val="on"/><span
     7900      style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7901      mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7902      mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i
     7903      style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7904      color:#4A4A4A'><m:r>i</m:r></span></i></m:sub><m:sup></m:sup><m:e><m:d><m:dPr><m:begChr
     7905         m:val="|"/><m:endChr m:val="|"/><span style='font-family:"Cambria Math",serif;
     7906        mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math";
     7907        color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:sSub><m:sSubPr><span
     7908          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7909          mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7910          mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
     7911          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7912          color:#4A4A4A'><m:r>u</m:r></span></i></m:e><m:sub><i
     7913          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7914          color:#4A4A4A'><m:r>i</m:r></span></i></m:sub></m:sSub><i
     7915        style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7916        color:#4A4A4A'><m:r>-</m:r></span></i><m:sSub><m:sSubPr><span
     7917          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7918          mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7919          mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
     7920          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7921          color:#4A4A4A'><m:r>v</m:r></span></i></m:e><m:sub><i
     7922          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7923          color:#4A4A4A'><m:r>i</m:r></span></i></m:sub></m:sSub></m:e></m:d></m:e></m:nary></m:num><m:den><m:nary><m:naryPr><m:chr
     7924       m:val="∑"/><m:limLoc m:val="subSup"/><m:supHide m:val="on"/><span
     7925      style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7926      mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7927      mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i
     7928      style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7929      color:#4A4A4A'><m:r>i</m:r></span></i></m:sub><m:sup></m:sup><m:e><m:d><m:dPr><m:begChr
     7930         m:val="|"/><m:endChr m:val="|"/><span style='font-family:"Cambria Math",serif;
     7931        mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math";
     7932        color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:sSub><m:sSubPr><span
     7933          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7934          mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7935          mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
     7936          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7937          color:#4A4A4A'><m:r>u</m:r></span></i></m:e><m:sub><i
     7938          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7939          color:#4A4A4A'><m:r>i</m:r></span></i></m:sub></m:sSub><i
     7940        style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7941        color:#4A4A4A'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span
     7942          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7943          mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7944          mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
     7945          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7946          color:#4A4A4A'><m:r>v</m:r></span></i></m:e><m:sub><i
     7947          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7948          color:#4A4A4A'><m:r>i</m:r></span></i></m:sub></m:sSub></m:e></m:d></m:e></m:nary></m:den></m:f></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span
     7949style='font-size:11.0pt;line-height:107%;font-family:"Calibri",sans-serif;
     7950mso-ascii-theme-font:minor-latin;mso-fareast-font-family:"Times New Roman";
     7951mso-fareast-theme-font:minor-fareast;mso-hansi-theme-font:minor-latin;
     7952mso-bidi-font-family:"Times New Roman";mso-bidi-theme-font:minor-bidi;
     7953mso-ansi-language:EN-US;mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape
     7954 id="_x0000_i1025" type="#_x0000_t75" style='width:108.75pt;height:44.25pt'>
     7955 <v:imagedata src="gsasII_files/image028.png" o:title="" chromakey="white"/>
     7956</v:shape><![endif]--><![if !vml]><img width=145 height=59
     7957src="gsasII_files/image029.png" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span
     7958style='font-family:"Cambria Math",serif;color:#4A4A4A'><o:p></o:p></span></p>
     7959
     7960<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
     7961text-indent:-.25in;mso-list:l39 level2 lfo31'><![if !supportLists]><span
     7962style='font-family:"Courier New";mso-fareast-font-family:"Courier New";
     7963color:#4A4A4A'><span style='mso-list:Ignore'>o<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;
     7964</span></span></span><![endif]><b><span tabindex=0 data-mathml="&lt;math xmlns=&quot;http://www.w3.org/1998/Math/MathML&quot; display=&quot;block&quot;&gt;&lt;mi&gt;d&lt;/mi&gt;&lt;mo stretchy=&quot;false&quot;&gt;(&lt;/mo&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mo&gt;,&lt;/mo&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mo stretchy=&quot;false&quot;&gt;)&lt;/mo&gt;&lt;mo&gt;=&lt;/mo&gt;&lt;mfrac&gt;&lt;mrow&gt;&lt;munder&gt;&lt;mo&gt;&amp;#x2211;&lt;/mo&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/munder&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;msub&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;&amp;#x2212;&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;mrow&gt;&lt;munder&gt;&lt;mo&gt;&amp;#x2211;&lt;/mo&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/munder&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;msub&gt;&lt;mi&gt;u&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mo&gt;+&lt;/mo&gt;&lt;msub&gt;&lt;mi&gt;v&lt;/mi&gt;&lt;mi&gt;i&lt;/mi&gt;&lt;/msub&gt;&lt;mrow class=&quot;MJX-TeXAtom-ORD&quot;&gt;&lt;mo stretchy=&quot;false&quot;&gt;|&lt;/mo&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mrow&gt;&lt;/mfrac&gt;&lt;/math&gt;"
     7965role=presentation style='box-sizing: border-box;display:inline-block;
     7966overflow-wrap: normal;max-width:none;max-height: none;min-width: 0px;
     7967min-height: 0px;float:none;word-spacing:normal' id=MathJax-Element-27-Frame><span
     7968style='color:#4A4A4A'>canberra</span> – </span></b><span style='color:#4A4A4A'>Computes
     7969the Canberra distance between data vectors as:<o:p></o:p></span></p>
     7970
     7971<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     7972auto'><!--[if gte msEquation 12]><m:oMathPara><m:oMathParaPr><m:jc m:val="left"/></m:oMathParaPr><m:oMath><i
     7973  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7974  color:#4A4A4A'><m:r>d</m:r></span></i><m:d><m:dPr><span style='font-family:
     7975    "Cambria Math",serif;mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:
     7976    "Cambria Math";color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><i
     7977    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7978    color:#4A4A4A'><m:r>u</m:r><m:r>,</m:r><m:r>v</m:r></span></i></m:e></m:d><i
     7979  style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7980  color:#4A4A4A'><m:r>= </m:r></span></i><m:nary><m:naryPr><m:chr m:val="∑"/><m:limLoc
     7981     m:val="undOvr"/><m:supHide m:val="on"/><span style='font-family:"Cambria Math",serif;
     7982    mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math";
     7983    color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:naryPr><m:sub><i
     7984    style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7985    color:#4A4A4A'><m:r>i</m:r></span></i></m:sub><m:sup></m:sup><m:e><m:f><m:fPr><span
     7986      style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7987      mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7988      mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><m:d><m:dPr><m:begChr
     7989         m:val="|"/><m:endChr m:val="|"/><span style='font-family:"Cambria Math",serif;
     7990        mso-ascii-font-family:"Cambria Math";mso-hansi-font-family:"Cambria Math";
     7991        color:#4A4A4A;font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:sSub><m:sSubPr><span
     7992          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     7993          mso-hansi-font-family:"Cambria Math";color:#4A4A4A;font-style:italic;
     7994          mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i
     7995          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7996          color:#4A4A4A'><m:r>u</m:r></span></i></m:e><m:sub><i
     7997          style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     7998          color:#4A4A4A'><m:r>i</m:r></span></i></m:sub></m:sSub><i
     7999        style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math",serif;
     8000        color:#4A4A4A'><m:r>-</m:r></span></i><m:sSub><m:sSubPr><span
     8001          style='font-family:"Cambria Math",serif;mso-ascii-font-family:"Cambria Math";
     8002          mso-hansi-font-family:"Cambria Math";color:#4A