Changeset 563


Ignore:
Timestamp:
Apr 20, 2012 10:07:01 AM (10 years ago)
Author:
vondreele
Message:

add "None" element to table - used for charge flipping
mods to charge flipping
fix PickElement? errors in pdf controls, etc.

Location:
trunk
Files:
6 edited

Legend:

Unmodified
Added
Removed
  • trunk/ElementTable.py

    r483 r563  
    111111    (["Cf",],                 11.5,7.5, "Californium", REcolor,          1.764,(161,54,212)),
    112112    (["Q","QA","QB","QC","QD"],  14.5,7.5, "Special form factor", REcolor,  0.000,(161,54,212)),
     113    (["None",],                  15.5,7.5, "No element choice",REcolor,     0.000,(161,54,212)),
    113114    ]
  • trunk/GSASIIElemGUI.py

    r529 r563  
    1515    "Makes periodic table widget for picking element - caller maintains element list"
    1616    Elem=None
    17     def _init_ctrls(self, prnt,oneOnly):
     17    def _init_ctrls(self, prnt):
    1818        wx.Dialog.__init__(self, id=-1, name='PickElement',
    1919              parent=prnt, pos=wx.DefaultPosition,
     
    2727        i=0
    2828        for E in ET.ElTable:
    29             if oneOnly:
     29            if self.oneOnly:
    3030                color=E[4]
    3131            else:
    3232                color=E[6]
    3333            PickElement.ElButton(self,name=E[0],
    34                pos=wx.Point(E[1]*self.butWid+25,E[2]*24+24),tip=E[3],color=color,oneOnly=oneOnly)
     34               pos=wx.Point(E[1]*self.butWid+25,E[2]*24+24),tip=E[3],color=color)
    3535            i+=1
    3636
    37     def __init__(self, parent,oneOnly=False):
    38         self._init_ctrls(parent,oneOnly)
     37    def __init__(self, parent,oneOnly=False,ifNone=False):
     38        self.oneOnly = oneOnly
     39        self.ifNone = ifNone
     40        self._init_ctrls(parent)
    3941       
    40     def ElButton(self, name, pos, tip, color, oneOnly):
     42    def ElButton(self, name, pos, tip, color):
    4143        Black = wx.Colour(0,0,0)
    42         if oneOnly:
     44        if not self.ifNone and name[0] == 'None':
     45            return
     46        if self.oneOnly:
    4347            El = wscs.ColourSelect(label=name[0], parent=self,colour=color,
    4448                pos=pos, size=wx.Size(self.butWid,23), style=wx.RAISED_BORDER)
    4549            El.Bind(wx.EVT_BUTTON, self.OnElButton)
    4650        else:
    47             El = wx.ComboBox(choices=name, parent=self, pos=pos, size=wx.Size(self.butWid,23),
     51            butWid = self.butWid
     52            if name[0] == 'None':
     53                butWid *= 2
     54            El = wx.ComboBox(choices=name, parent=self, pos=pos, size=wx.Size(butWid,23),
    4855                style=wx.CB_READONLY, value=name[0])
    4956            El.Bind(wx.EVT_COMBOBOX,self.OnElButton)
     
    5360
    5461    def OnElButton(self, event):
    55         El = event.GetEventObject().GetValue()
     62        if self.oneOnly:
     63            El = event.GetEventObject().GetLabel()
     64        else:
     65            El = event.GetEventObject().GetValue()
    5666        self.Elem = El
    5767        self.EndModal(wx.ID_OK)       
  • trunk/GSASIImath.py

    r550 r563  
    582582
    583583def ChargeFlip(data,reflData,pgbar):
    584     print 'charge flip'
    585     import scipy.fftpack as fft
    586 #    import numpy.fft as fft
     584#    import scipy.fftpack as fft
     585    import numpy.fft as fft
    587586    generalData = data['General']
    588587    mapData = generalData['Map']
    589588    flipData = generalData['Flip']
    590     normElem = flipData['Norm element'].upper()
    591589    FFtable = {}
    592     FFs = G2el.GetFormFactorCoeff(normElem.split('+')[0].split('-')[0])
    593     for ff in FFs:
    594         if ff['Symbol'] == normElem:
    595             FFtable.update(ff)
     590    if 'None' not in flipData['Norm element']:
     591        normElem = flipData['Norm element'].upper()
     592        FFs = G2el.GetFormFactorCoeff(normElem.split('+')[0].split('-')[0])
     593        for ff in FFs:
     594            if ff['Symbol'] == normElem:
     595                FFtable.update(ff)
    596596    dmin = flipData['Resolution']
    597597    SGData = generalData['SGData']
     
    600600    Vol = cell[6]
    601601    Hmax = np.asarray(G2lat.getHKLmax(dmin,SGData,A),dtype='i')+1
    602     Ehkl = np.zeros(shape=2*Hmax,dtype='c16')
     602    Ehkl = np.zeros(shape=2*Hmax,dtype='c16')       #2X64bits per complex no.
    603603    time0 = time.time()
    604604    for ref in reflData:
    605605        dsp = ref[4]
    606606        if dsp >= dmin:
    607             SQ = 0.25/dsp**2
    608             ff = 0.1*Vol*G2el.ScatFac(FFtable,SQ)[0]
     607            ff = 0.1*Vol    #est. no. atoms for ~10A**3/atom
     608            if FFtable:
     609                SQ = 0.25/dsp**2
     610                ff *= G2el.ScatFac(FFtable,SQ)[0]
    609611            E = np.sqrt(ref[8])/ff
    610612            ph = ref[10]
     
    622624                h,k,l = hkl+Hmax
    623625                Ehkl[h,k,l] = E*phasep
    624                 h,k,l = -hkl+Hmax       #Friedel pair
     626                h,k,l = -hkl+Hmax       #Friedel pair refl.
    625627                Ehkl[h,k,l] = E*phasem
     628#    Ehkl[Hmax] = 0.00001           #this to preserve F[0,0,0]
    626629    CEhkl = copy.copy(Ehkl)
    627630    MEhkl = ma.array(Ehkl,mask=(Ehkl==0.0))
    628     dmask = ma.getmask(MEhkl)
    629     sumE2 = np.sum(ma.array(np.absolute(CEhkl),mask=dmask)**2)
     631    Emask = ma.getmask(MEhkl)
     632    sumE = np.sum(ma.array(np.absolute(CEhkl),mask=Emask))
    630633    Ncyc = 0
    631634    while True:       
    632         CFrho = np.real(fft.fftn(fft.fftshift(CEhkl)))
    633         CFsig = np.std(CFrho)
    634         CErho = np.where(CFrho >= flipData['k-factor']*CFsig,CFrho,-CFrho)
    635         CFhkl = fft.ifftshift(fft.ifftn(CErho))
     635        CErho = np.real(fft.fftn(fft.fftshift(CEhkl)))*(1.+0j)
     636        CEsig = np.std(CErho)
     637        CFrho = np.where(np.real(CErho) >= flipData['k-factor']*CEsig,CErho,-CErho)
     638        CFhkl = fft.ifftshift(fft.ifftn(CFrho))
    636639        CEhkl = np.absolute(Ehkl)*CFhkl/np.absolute(CFhkl)
    637640        Ncyc += 1
    638         DEhkl = np.absolute(Ehkl)-np.absolute(CFhkl)
    639         sumDE2 = np.sum(ma.array(DEhkl,mask=dmask)**2)
    640         Rcf = min(100.,np.sqrt(sumDE2/sumE2)*100.)
    641         print '%s%8.3f%s\n%s %d'%('Residual Rcf =',Rcf,'%','No.cycles = ',Ncyc)
     641        sumCF = np.sum(ma.array(np.absolute(CFhkl),mask=Emask))
     642        DEhkl = np.absolute(np.absolute(Ehkl)/sumE-np.absolute(CFhkl)/sumCF)
     643        Rcf = min(100.,np.sum(ma.array(DEhkl,mask=Emask)*100.))
    642644        if Rcf < 5.:
    643645            break
     
    646648            break
    647649    print 'Charge flip time: %.4f'%(time.time()-time0),'no. elements: %d'%(Ehkl.size)
     650    print 'No.cycles = ',Ncyc,'Residual Rcf =%8.3f%s'%(Rcf,'%')
    648651    mapData['rho'] = np.real(fft.fftn(fft.fftshift(CEhkl)))
    649652    mapData['rhoMax'] = max(np.max(mapData['rho']),-np.min(mapData['rho']))
  • trunk/GSASIIphsGUI.py

    r551 r563  
    258258                'rho':[],'rhoMax':0.,'mapSize':10.0,'cutOff':50.}
    259259        if 'Flip' not in generalData:
    260             generalData['Flip'] = {'RefList':'','Resolution':1.0,'Norm element':'C',
     260            generalData['Flip'] = {'RefList':'','Resolution':1.0,'Norm element':'None',
    261261                'k-factor':1.1}
    262262        if 'doPawley' not in generalData:
     
    690690               
    691691            def OnNormElem(event):
    692                 PE = G2elemGUI.PickElement(G2frame)
     692                PE = G2elemGUI.PickElement(G2frame,ifNone=True)
    693693                if PE.ShowModal() == wx.ID_OK:
    694694                    Flip['Norm element'] = PE.Elem.strip()
     
    997997                PE = G2elemGUI.PickElement(G2frame)
    998998                if PE.ShowModal() == wx.ID_OK:
    999                     atomData[r][c] = PE.Elem.strip()
    1000                     name = atomData[r][c]
    1001                     if len(name) in [2,4]:
    1002                         atomData[r][c-1] = name[:2]+'(%d)'%(r+1)
    1003                     else:
    1004                         atomData[r][c-1] = name[:1]+'(%d)'%(r+1)
     999                    if PE.Elem not in 'None':                       
     1000                        atomData[r][c] = PE.Elem.strip()
     1001                        name = atomData[r][c]
     1002                        if len(name) in [2,4]:
     1003                            atomData[r][c-1] = name[:2]+'(%d)'%(r+1)
     1004                        else:
     1005                            atomData[r][c-1] = name[:1]+'(%d)'%(r+1)
    10051006                PE.Destroy()
    10061007                SetupGeneral()
  • trunk/GSASIIpwdGUI.py

    r536 r563  
    2222import GSASIIplot as G2plt
    2323import GSASIIgrid as G2gd
     24import GSASIIElemGUI as G2elemGUI
    2425import GSASIIElem as G2elem
    2526
     
    20762077    def OnAddElement(event):
    20772078        ElList = data['ElList']
    2078         PE = G2elem.PickElement(G2frame,oneOnly=True)
     2079        PE = G2elemGUI.PickElement(G2frame,oneOnly=True)
    20792080        if PE.ShowModal() == wx.ID_OK:
    20802081            El = PE.Elem
    2081             if El not in ElList:
     2082            if El not in ElList and El != 'None':
    20822083                ElemSym = El.strip().upper()               
    20832084                FpMu = G2elem.FPcalc(G2elem.GetXsectionCoeff(ElemSym), keV)
     
    20952096        ElList = data['ElList']
    20962097        choice = ElList.keys()
    2097         dlg = G2elem.DeleteElement(G2frame,choice=choice)
     2098        dlg = G2elemGUI.DeleteElement(G2frame,choice=choice)
    20982099        if dlg.ShowModal() == wx.ID_OK:
    20992100            del ElList[dlg.GetDeleteElement()]
  • trunk/help/gsasII.html

    r536 r563  
    88<meta http-equiv=Content-Type content="text/html; charset=us-ascii">
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    1212<link rel=File-List href="gsasII_files/filelist.xml">
    1313<link rel=Edit-Time-Data href="gsasII_files/editdata.mso">
     
    2525  <o:Author>Von Dreele</o:Author>
    2626  <o:LastAuthor>Von Dreele</o:LastAuthor>
    27   <o:Revision>75</o:Revision>
    28   <o:TotalTime>2665</o:TotalTime>
     27  <o:Revision>78</o:Revision>
     28  <o:TotalTime>2793</o:TotalTime>
    2929  <o:Created>2011-11-28T16:49:00Z</o:Created>
    30   <o:LastSaved>2012-04-09T15:58:00Z</o:LastSaved>
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     30  <o:LastSaved>2012-04-14T18:14:00Z</o:LastSaved>
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    3434  <o:Company>Argonne National Laboratory</o:Company>
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    429429        font-weight:bold;}
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    1191         text-indent:-.25in;}
    1192 @list l9:level8
    1193         {mso-level-tab-stop:4.0in;
    1194         mso-level-number-position:left;
    1195         text-indent:-.25in;}
    1196 @list l9:level9
    1197         {mso-level-tab-stop:4.5in;
    1198         mso-level-number-position:left;
    1199         text-indent:-.25in;}
    1200 @list l10
    1201         {mso-list-id:742676264;
    1202         mso-list-template-ids:326264828;}
    1203 @list l10:level1
    1204         {mso-level-tab-stop:none;
    1205         mso-level-number-position:left;
    1206         text-indent:-.25in;}
    1207 @list l10:level2
    12081166        {mso-level-number-format:alpha-lower;
    12091167        mso-level-tab-stop:1.0in;
     
    12141172        mso-ansi-font-weight:normal;
    12151173        mso-ansi-font-style:normal;}
    1216 @list l10:level3
     1174@list l9:level3
    12171175        {mso-level-tab-stop:1.5in;
    12181176        mso-level-number-position:left;
    12191177        text-indent:-.25in;}
    1220 @list l10:level4
     1178@list l9:level4
    12211179        {mso-level-number-format:alpha-lower;
    12221180        mso-level-tab-stop:2.0in;
    12231181        mso-level-number-position:left;
    12241182        text-indent:-.25in;}
    1225 @list l10:level5
     1183@list l9:level5
    12261184        {mso-level-tab-stop:2.5in;
    12271185        mso-level-number-position:left;
    12281186        text-indent:-.25in;}
    1229 @list l10:level6
     1187@list l9:level6
    12301188        {mso-level-tab-stop:3.0in;
    12311189        mso-level-number-position:left;
    12321190        text-indent:-.25in;}
    1233 @list l10:level7
     1191@list l9:level7
    12341192        {mso-level-tab-stop:3.5in;
    12351193        mso-level-number-position:left;
    12361194        text-indent:-.25in;}
    1237 @list l10:level8
     1195@list l9:level8
    12381196        {mso-level-tab-stop:4.0in;
    12391197        mso-level-number-position:left;
    12401198        text-indent:-.25in;}
    1241 @list l10:level9
     1199@list l9:level9
    12421200        {mso-level-tab-stop:4.5in;
    12431201        mso-level-number-position:left;
    12441202        text-indent:-.25in;}
    1245 @list l11
     1203@list l10
    12461204        {mso-list-id:919948450;
    12471205        mso-list-type:hybrid;
    12481206        mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1249 @list l11:level1
     1207@list l10:level1
    12501208        {mso-level-tab-stop:none;
    12511209        mso-level-number-position:left;
    12521210        text-indent:-.25in;}
    1253 @list l11:level2
     1211@list l10:level2
    12541212        {mso-level-tab-stop:1.0in;
    12551213        mso-level-number-position:left;
    12561214        text-indent:-.25in;}
    1257 @list l11:level3
     1215@list l10:level3
    12581216        {mso-level-tab-stop:1.5in;
    12591217        mso-level-number-position:left;
    12601218        text-indent:-.25in;}
    1261 @list l11:level4
     1219@list l10:level4
    12621220        {mso-level-tab-stop:2.0in;
    12631221        mso-level-number-position:left;
    12641222        text-indent:-.25in;}
    1265 @list l11:level5
     1223@list l10:level5
    12661224        {mso-level-tab-stop:2.5in;
    12671225        mso-level-number-position:left;
    12681226        text-indent:-.25in;}
    1269 @list l11:level6
     1227@list l10:level6
    12701228        {mso-level-tab-stop:3.0in;
    12711229        mso-level-number-position:left;
    12721230        text-indent:-.25in;}
    1273 @list l11:level7
     1231@list l10:level7
    12741232        {mso-level-tab-stop:3.5in;
    12751233        mso-level-number-position:left;
    12761234        text-indent:-.25in;}
    1277 @list l11:level8
     1235@list l10:level8
    12781236        {mso-level-tab-stop:4.0in;
    12791237        mso-level-number-position:left;
    12801238        text-indent:-.25in;}
    1281 @list l11:level9
     1239@list l10:level9
    12821240        {mso-level-tab-stop:4.5in;
    12831241        mso-level-number-position:left;
    12841242        text-indent:-.25in;}
    1285 @list l12
     1243@list l11
    12861244        {mso-list-id:1035230400;
    12871245        mso-list-type:hybrid;
    12881246        mso-list-template-ids:-2012591744 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1247@list l11:level1
     1248        {mso-level-tab-stop:none;
     1249        mso-level-number-position:left;
     1250        text-indent:-.25in;}
     1251@list l11:level2
     1252        {mso-level-number-format:alpha-lower;
     1253        mso-level-tab-stop:none;
     1254        mso-level-number-position:left;
     1255        text-indent:-.25in;}
     1256@list l11:level3
     1257        {mso-level-tab-stop:1.5in;
     1258        mso-level-number-position:left;
     1259        text-indent:-.25in;}
     1260@list l11:level4
     1261        {mso-level-tab-stop:2.0in;
     1262        mso-level-number-position:left;
     1263        text-indent:-.25in;}
     1264@list l11:level5
     1265        {mso-level-tab-stop:2.5in;
     1266        mso-level-number-position:left;
     1267        text-indent:-.25in;}
     1268@list l11:level6
     1269        {mso-level-tab-stop:3.0in;
     1270        mso-level-number-position:left;
     1271        text-indent:-.25in;}
     1272@list l11:level7
     1273        {mso-level-tab-stop:3.5in;
     1274        mso-level-number-position:left;
     1275        text-indent:-.25in;}
     1276@list l11:level8
     1277        {mso-level-tab-stop:4.0in;
     1278        mso-level-number-position:left;
     1279        text-indent:-.25in;}
     1280@list l11:level9
     1281        {mso-level-tab-stop:4.5in;
     1282        mso-level-number-position:left;
     1283        text-indent:-.25in;}
     1284@list l12
     1285        {mso-list-id:1074664733;
     1286        mso-list-type:hybrid;
     1287        mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    12891288@list l12:level1
    1290         {mso-level-tab-stop:none;
    1291         mso-level-number-position:left;
    1292         text-indent:-.25in;}
     1289        {mso-level-number-format:alpha-lower;
     1290        mso-level-tab-stop:none;
     1291        mso-level-number-position:left;
     1292        margin-left:1.0in;
     1293        text-indent:-.25in;
     1294        mso-ansi-font-weight:normal;}
    12931295@list l12:level2
    12941296        {mso-level-number-format:alpha-lower;
     
    13251327        text-indent:-.25in;}
    13261328@list l13
    1327         {mso-list-id:1074664733;
     1329        {mso-list-id:1162892763;
    13281330        mso-list-type:hybrid;
    1329         mso-list-template-ids:2033622918 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1331        mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    13301332@list l13:level1
    13311333        {mso-level-number-format:alpha-lower;
     
    13331335        mso-level-number-position:left;
    13341336        margin-left:1.0in;
    1335         text-indent:-.25in;
    1336         mso-ansi-font-weight:normal;}
     1337        text-indent:-.25in;}
    13371338@list l13:level2
    1338         {mso-level-number-format:alpha-lower;
    1339         mso-level-tab-stop:none;
     1339        {mso-level-tab-stop:1.0in;
    13401340        mso-level-number-position:left;
    13411341        text-indent:-.25in;}
     
    13691369        text-indent:-.25in;}
    13701370@list l14
    1371         {mso-list-id:1162892763;
     1371        {mso-list-id:1323200535;
    13721372        mso-list-type:hybrid;
    1373         mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1373        mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    13741374@list l14:level1
    13751375        {mso-level-number-format:alpha-lower;
     
    14111411        text-indent:-.25in;}
    14121412@list l15
    1413         {mso-list-id:1323200535;
    1414         mso-list-type:hybrid;
    1415         mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1416 @list l15:level1
    1417         {mso-level-number-format:alpha-lower;
    1418         mso-level-tab-stop:none;
    1419         mso-level-number-position:left;
    1420         margin-left:1.0in;
    1421         text-indent:-.25in;}
    1422 @list l15:level2
    1423         {mso-level-tab-stop:1.0in;
    1424         mso-level-number-position:left;
    1425         text-indent:-.25in;}
    1426 @list l15:level3
    1427         {mso-level-tab-stop:1.5in;
    1428         mso-level-number-position:left;
    1429         text-indent:-.25in;}
    1430 @list l15:level4
    1431         {mso-level-tab-stop:2.0in;
    1432         mso-level-number-position:left;
    1433         text-indent:-.25in;}
    1434 @list l15:level5
    1435         {mso-level-tab-stop:2.5in;
    1436         mso-level-number-position:left;
    1437         text-indent:-.25in;}
    1438 @list l15:level6
    1439         {mso-level-tab-stop:3.0in;
    1440         mso-level-number-position:left;
    1441         text-indent:-.25in;}
    1442 @list l15:level7
    1443         {mso-level-tab-stop:3.5in;
    1444         mso-level-number-position:left;
    1445         text-indent:-.25in;}
    1446 @list l15:level8
    1447         {mso-level-tab-stop:4.0in;
    1448         mso-level-number-position:left;
    1449         text-indent:-.25in;}
    1450 @list l15:level9
    1451         {mso-level-tab-stop:4.5in;
    1452         mso-level-number-position:left;
    1453         text-indent:-.25in;}
    1454 @list l16
    14551413        {mso-list-id:1326516832;
    14561414        mso-list-type:hybrid;
    14571415        mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1416@list l15:level1
     1417        {mso-level-tab-stop:none;
     1418        mso-level-number-position:left;
     1419        text-indent:-.25in;}
     1420@list l15:level2
     1421        {mso-level-tab-stop:1.0in;
     1422        mso-level-number-position:left;
     1423        text-indent:-.25in;}
     1424@list l15:level3
     1425        {mso-level-tab-stop:1.5in;
     1426        mso-level-number-position:left;
     1427        text-indent:-.25in;}
     1428@list l15:level4
     1429        {mso-level-tab-stop:2.0in;
     1430        mso-level-number-position:left;
     1431        text-indent:-.25in;}
     1432@list l15:level5
     1433        {mso-level-tab-stop:2.5in;
     1434        mso-level-number-position:left;
     1435        text-indent:-.25in;}
     1436@list l15:level6
     1437        {mso-level-tab-stop:3.0in;
     1438        mso-level-number-position:left;
     1439        text-indent:-.25in;}
     1440@list l15:level7
     1441        {mso-level-tab-stop:3.5in;
     1442        mso-level-number-position:left;
     1443        text-indent:-.25in;}
     1444@list l15:level8
     1445        {mso-level-tab-stop:4.0in;
     1446        mso-level-number-position:left;
     1447        text-indent:-.25in;}
     1448@list l15:level9
     1449        {mso-level-tab-stop:4.5in;
     1450        mso-level-number-position:left;
     1451        text-indent:-.25in;}
     1452@list l16
     1453        {mso-list-id:1394309879;
     1454        mso-list-template-ids:326264828;}
    14581455@list l16:level1
    14591456        {mso-level-tab-stop:none;
     
    14611458        text-indent:-.25in;}
    14621459@list l16:level2
    1463         {mso-level-tab-stop:1.0in;
    1464         mso-level-number-position:left;
    1465         text-indent:-.25in;}
    1466 @list l16:level3
    1467         {mso-level-tab-stop:1.5in;
    1468         mso-level-number-position:left;
    1469         text-indent:-.25in;}
    1470 @list l16:level4
    1471         {mso-level-tab-stop:2.0in;
    1472         mso-level-number-position:left;
    1473         text-indent:-.25in;}
    1474 @list l16:level5
    1475         {mso-level-tab-stop:2.5in;
    1476         mso-level-number-position:left;
    1477         text-indent:-.25in;}
    1478 @list l16:level6
    1479         {mso-level-tab-stop:3.0in;
    1480         mso-level-number-position:left;
    1481         text-indent:-.25in;}
    1482 @list l16:level7
    1483         {mso-level-tab-stop:3.5in;
    1484         mso-level-number-position:left;
    1485         text-indent:-.25in;}
    1486 @list l16:level8
    1487         {mso-level-tab-stop:4.0in;
    1488         mso-level-number-position:left;
    1489         text-indent:-.25in;}
    1490 @list l16:level9
    1491         {mso-level-tab-stop:4.5in;
    1492         mso-level-number-position:left;
    1493         text-indent:-.25in;}
    1494 @list l17
    1495         {mso-list-id:1394309879;
    1496         mso-list-template-ids:326264828;}
    1497 @list l17:level1
    1498         {mso-level-tab-stop:none;
    1499         mso-level-number-position:left;
    1500         text-indent:-.25in;}
    1501 @list l17:level2
    15021460        {mso-level-number-format:alpha-lower;
    15031461        mso-level-tab-stop:1.0in;
     
    15081466        mso-ansi-font-weight:normal;
    15091467        mso-ansi-font-style:normal;}
     1468@list l16:level3
     1469        {mso-level-tab-stop:1.5in;
     1470        mso-level-number-position:left;
     1471        text-indent:-.25in;}
     1472@list l16:level4
     1473        {mso-level-number-format:alpha-lower;
     1474        mso-level-tab-stop:2.0in;
     1475        mso-level-number-position:left;
     1476        text-indent:-.25in;}
     1477@list l16:level5
     1478        {mso-level-tab-stop:2.5in;
     1479        mso-level-number-position:left;
     1480        text-indent:-.25in;}
     1481@list l16:level6
     1482        {mso-level-tab-stop:3.0in;
     1483        mso-level-number-position:left;
     1484        text-indent:-.25in;}
     1485@list l16:level7
     1486        {mso-level-tab-stop:3.5in;
     1487        mso-level-number-position:left;
     1488        text-indent:-.25in;}
     1489@list l16:level8
     1490        {mso-level-tab-stop:4.0in;
     1491        mso-level-number-position:left;
     1492        text-indent:-.25in;}
     1493@list l16:level9
     1494        {mso-level-tab-stop:4.5in;
     1495        mso-level-number-position:left;
     1496        text-indent:-.25in;}
     1497@list l17
     1498        {mso-list-id:1602683002;
     1499        mso-list-type:hybrid;
     1500        mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1501@list l17:level1
     1502        {mso-level-tab-stop:none;
     1503        mso-level-number-position:left;
     1504        text-indent:-.25in;}
     1505@list l17:level2
     1506        {mso-level-number-format:alpha-lower;
     1507        mso-level-tab-stop:none;
     1508        mso-level-number-position:left;
     1509        text-indent:-.25in;}
    15101510@list l17:level3
    15111511        {mso-level-tab-stop:1.5in;
     
    15131513        text-indent:-.25in;}
    15141514@list l17:level4
    1515         {mso-level-number-format:alpha-lower;
    1516         mso-level-tab-stop:2.0in;
     1515        {mso-level-tab-stop:2.0in;
    15171516        mso-level-number-position:left;
    15181517        text-indent:-.25in;}
     
    15381537        text-indent:-.25in;}
    15391538@list l18
    1540         {mso-list-id:1453328047;
     1539        {mso-list-id:1669404025;
    15411540        mso-list-type:hybrid;
    1542         mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1541        mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    15431542@list l18:level1
    15441543        {mso-level-number-format:alpha-lower;
     
    15531552        text-indent:-.25in;}
    15541553@list l18:level3
    1555         {mso-level-tab-stop:1.5in;
    1556         mso-level-number-position:left;
     1554        {mso-level-tab-stop:112.5pt;
     1555        mso-level-number-position:left;
     1556        margin-left:112.5pt;
    15571557        text-indent:-.25in;}
    15581558@list l18:level4
     
    15811581        text-indent:-.25in;}
    15821582@list l19
    1583         {mso-list-id:1602683002;
    1584         mso-list-type:hybrid;
    1585         mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1583        {mso-list-id:1753089587;
     1584        mso-list-template-ids:1555050902;}
    15861585@list l19:level1
    15871586        {mso-level-tab-stop:none;
     
    15891588        text-indent:-.25in;}
    15901589@list l19:level2
    1591         {mso-level-number-format:alpha-lower;
    1592         mso-level-tab-stop:none;
     1590        {mso-level-tab-stop:1.0in;
    15931591        mso-level-number-position:left;
    15941592        text-indent:-.25in;}
     
    16221620        text-indent:-.25in;}
    16231621@list l20
    1624         {mso-list-id:1669404025;
    1625         mso-list-type:hybrid;
    1626         mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
     1622        {mso-list-id:2029942403;
     1623        mso-list-template-ids:1555050902;}
    16271624@list l20:level1
    1628         {mso-level-number-format:alpha-lower;
    1629         mso-level-tab-stop:none;
    1630         mso-level-number-position:left;
    1631         margin-left:1.0in;
    1632         text-indent:-.25in;
    1633         mso-ansi-font-weight:normal;}
     1625        {mso-level-tab-stop:none;
     1626        mso-level-number-position:left;
     1627        text-indent:-.25in;}
    16341628@list l20:level2
    16351629        {mso-level-tab-stop:1.0in;
     
    16371631        text-indent:-.25in;}
    16381632@list l20:level3
    1639         {mso-level-tab-stop:112.5pt;
    1640         mso-level-number-position:left;
    1641         margin-left:112.5pt;
     1633        {mso-level-tab-stop:1.5in;
     1634        mso-level-number-position:left;
    16421635        text-indent:-.25in;}
    16431636@list l20:level4
     
    16661659        text-indent:-.25in;}
    16671660@list l21
    1668         {mso-list-id:1753089587;
    1669         mso-list-template-ids:1555050902;}
    1670 @list l21:level1
    1671         {mso-level-tab-stop:none;
    1672         mso-level-number-position:left;
    1673         text-indent:-.25in;}
    1674 @list l21:level2
    1675         {mso-level-tab-stop:1.0in;
    1676         mso-level-number-position:left;
    1677         text-indent:-.25in;}
    1678 @list l21:level3
    1679         {mso-level-tab-stop:1.5in;
    1680         mso-level-number-position:left;
    1681         text-indent:-.25in;}
    1682 @list l21:level4
    1683         {mso-level-tab-stop:2.0in;
    1684         mso-level-number-position:left;
    1685         text-indent:-.25in;}
    1686 @list l21:level5
    1687         {mso-level-tab-stop:2.5in;
    1688         mso-level-number-position:left;
    1689         text-indent:-.25in;}
    1690 @list l21:level6
    1691         {mso-level-tab-stop:3.0in;
    1692         mso-level-number-position:left;
    1693         text-indent:-.25in;}
    1694 @list l21:level7
    1695         {mso-level-tab-stop:3.5in;
    1696         mso-level-number-position:left;
    1697         text-indent:-.25in;}
    1698 @list l21:level8
    1699         {mso-level-tab-stop:4.0in;
    1700         mso-level-number-position:left;
    1701         text-indent:-.25in;}
    1702 @list l21:level9
    1703         {mso-level-tab-stop:4.5in;
    1704         mso-level-number-position:left;
    1705         text-indent:-.25in;}
    1706 @list l22
    1707         {mso-list-id:2029942403;
    1708         mso-list-template-ids:1555050902;}
    1709 @list l22:level1
    1710         {mso-level-tab-stop:none;
    1711         mso-level-number-position:left;
    1712         text-indent:-.25in;}
    1713 @list l22:level2
    1714         {mso-level-tab-stop:1.0in;
    1715         mso-level-number-position:left;
    1716         text-indent:-.25in;}
    1717 @list l22:level3
    1718         {mso-level-tab-stop:1.5in;
    1719         mso-level-number-position:left;
    1720         text-indent:-.25in;}
    1721 @list l22:level4
    1722         {mso-level-tab-stop:2.0in;
    1723         mso-level-number-position:left;
    1724         text-indent:-.25in;}
    1725 @list l22:level5
    1726         {mso-level-tab-stop:2.5in;
    1727         mso-level-number-position:left;
    1728         text-indent:-.25in;}
    1729 @list l22:level6
    1730         {mso-level-tab-stop:3.0in;
    1731         mso-level-number-position:left;
    1732         text-indent:-.25in;}
    1733 @list l22:level7
    1734         {mso-level-tab-stop:3.5in;
    1735         mso-level-number-position:left;
    1736         text-indent:-.25in;}
    1737 @list l22:level8
    1738         {mso-level-tab-stop:4.0in;
    1739         mso-level-number-position:left;
    1740         text-indent:-.25in;}
    1741 @list l22:level9
    1742         {mso-level-tab-stop:4.5in;
    1743         mso-level-number-position:left;
    1744         text-indent:-.25in;}
    1745 @list l23
    17461661        {mso-list-id:2095858496;
    17471662        mso-list-type:hybrid;
    17481663        mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}
    1749 @list l23:level1
     1664@list l21:level1
    17501665        {mso-level-tab-stop:none;
    17511666        mso-level-number-position:left;
    17521667        text-indent:-.25in;}
    1753 @list l23:level2
     1668@list l21:level2
    17541669        {mso-level-tab-stop:1.0in;
    17551670        mso-level-number-position:left;
    17561671        text-indent:-.25in;}
    1757 @list l23:level3
     1672@list l21:level3
    17581673        {mso-level-tab-stop:1.5in;
    17591674        mso-level-number-position:left;
    17601675        text-indent:-.25in;}
    1761 @list l23:level4
     1676@list l21:level4
    17621677        {mso-level-tab-stop:2.0in;
    17631678        mso-level-number-position:left;
    17641679        text-indent:-.25in;}
    1765 @list l23:level5
     1680@list l21:level5
    17661681        {mso-level-tab-stop:2.5in;
    17671682        mso-level-number-position:left;
    17681683        text-indent:-.25in;}
    1769 @list l23:level6
     1684@list l21:level6
    17701685        {mso-level-tab-stop:3.0in;
    17711686        mso-level-number-position:left;
    17721687        text-indent:-.25in;}
    1773 @list l23:level7
     1688@list l21:level7
    17741689        {mso-level-tab-stop:3.5in;
    17751690        mso-level-number-position:left;
    17761691        text-indent:-.25in;}
    1777 @list l23:level8
     1692@list l21:level8
    17781693        {mso-level-tab-stop:4.0in;
    17791694        mso-level-number-position:left;
    17801695        text-indent:-.25in;}
    1781 @list l23:level9
     1696@list l21:level9
     1697        {mso-level-tab-stop:4.5in;
     1698        mso-level-number-position:left;
     1699        text-indent:-.25in;}
     1700@list l22
     1701        {mso-list-id:2114591880;
     1702        mso-list-template-ids:-445226636;}
     1703@list l22:level1
     1704        {mso-level-tab-stop:none;
     1705        mso-level-number-position:left;
     1706        text-indent:-.25in;}
     1707@list l22:level2
     1708        {mso-level-number-format:alpha-lower;
     1709        mso-level-tab-stop:1.0in;
     1710        mso-level-number-position:left;
     1711        text-indent:-.25in;}
     1712@list l22:level3
     1713        {mso-level-tab-stop:1.5in;
     1714        mso-level-number-position:left;
     1715        text-indent:-.25in;}
     1716@list l22:level4
     1717        {mso-level-number-format:alpha-lower;
     1718        mso-level-tab-stop:2.0in;
     1719        mso-level-number-position:left;
     1720        text-indent:-.25in;}
     1721@list l22:level5
     1722        {mso-level-tab-stop:2.5in;
     1723        mso-level-number-position:left;
     1724        text-indent:-.25in;}
     1725@list l22:level6
     1726        {mso-level-tab-stop:3.0in;
     1727        mso-level-number-position:left;
     1728        text-indent:-.25in;}
     1729@list l22:level7
     1730        {mso-level-tab-stop:3.5in;
     1731        mso-level-number-position:left;
     1732        text-indent:-.25in;}
     1733@list l22:level8
     1734        {mso-level-tab-stop:4.0in;
     1735        mso-level-number-position:left;
     1736        text-indent:-.25in;}
     1737@list l22:level9
    17821738        {mso-level-tab-stop:4.5in;
    17831739        mso-level-number-position:left;
     
    17981754        mso-style-noshow:yes;
    17991755        mso-style-priority:99;
    1800         mso-style-qformat:yes;
    18011756        mso-style-parent:"";
    18021757        mso-padding-alt:0in 5.4pt 0in 5.4pt;
     
    18101765<link href=gsasIIfav.png rel="SHORTCUT ICON">
    18111766<!--[if gte mso 9]><xml>
    1812  <o:shapedefaults v:ext="edit" spidmax="16386"/>
     1767 <o:shapedefaults v:ext="edit" spidmax="1027"/>
    18131768</xml><![endif]--><!--[if gte mso 9]><xml>
    18141769 <o:shapelayout v:ext="edit">
     
    18411796 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/>
    18421797 <o:lock v:ext="edit" aspectratio="t"/>
    1843 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1045" type="#_x0000_t75"
    1844  alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0;
    1845  width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square;
     1798</v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1026" type="#_x0000_t75"
     1799 alt="Description: GSAS-II logo" style='position:absolute;margin-left:44.8pt;
     1800 margin-top:0;width:96pt;height:96pt;z-index:251657728;visibility:visible;
     1801 mso-wrap-style:square;mso-width-percent:0;mso-height-percent:0;
    18461802 mso-wrap-distance-left:0;mso-wrap-distance-top:0;mso-wrap-distance-right:0;
    18471803 mso-wrap-distance-bottom:0;mso-position-horizontal:right;
    18481804 mso-position-horizontal-relative:text;mso-position-vertical:absolute;
    1849  mso-position-vertical-relative:line' o:allowoverlap="f">
     1805 mso-position-vertical-relative:line;mso-width-percent:0;mso-height-percent:0;
     1806 mso-width-relative:page;mso-height-relative:page' o:allowoverlap="f">
    18501807 <v:imagedata src="gsas2logo.png"/>
    18511808 <w:wrap type="square" anchory="line"/>
    18521809</v:shape><![endif]--><![if !vml]><img width=128 height=128 src=gsas2logo.png
    1853 align=right alt="GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
     1810align=right alt="Description: GSAS-II logo" v:shapes="Picture_x0020_2"><![endif]><span
    18541811style='mso-fareast-font-family:"Times New Roman"'>Help for GSAS-II<o:p></o:p></span></h1>
    18551812
     
    18971854as outlined below: <o:p></o:p></span></p>
    18981855
    1899 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span
     1856<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
    19001857style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    19011858style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    19031860
    19041861<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1905 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1862auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19061863style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    19071864style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19161873
    19171874<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1918 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1875auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19191876style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    19201877style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19271884
    19281885<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1929 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1886auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19301887style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    19311888style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19371894
    19381895<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1939 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1896auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19401897style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    19411898style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19461903
    19471904<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1948 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1905auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19491906style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    19501907style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19521909style='mso-fareast-font-family:"Times New Roman"'> &#8211; Exit the GSAS-II
    19531910program; if there is a current project you will be asked if you want to save it
    1954 first. Pressing the red X in the upper right (Windows) also exits (no save
    1955 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
    1956 
    1957 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span
     1911first. Pressing the red X in the upper right (Windows) also exits (no save option)
     1912GSAS-II; useful for escaping from GSAS-II if needed.</span></p>
     1913
     1914<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
    19581915style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    19591916style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    19611918
    19621919<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1963 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1920auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19641921style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    19651922style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19751932
    19761933<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1977 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1934auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19781935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    19791936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19881945
    19891946<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1990 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1947auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    19911948style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    19921949style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    19971954
    19981955<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    1999 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1956auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20001957style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    20011958style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20031960
    20041961<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2005 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1962auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20061963style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    20071964style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20091966
    20101967<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2011 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1968auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20121969style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    20131970style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20151972
    20161973<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2017 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1974auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20181975style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    20191976style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20281985
    20291986<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2030 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1987auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20311988style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    20321989style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20361993
    20371994<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2038 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     1995auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20391996style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    20401997style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    20432000
    20442001<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2045 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2002auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20462003style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    20472004style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    20502007a list of choices is presented.</p>
    20512008
    2052 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span
     2009<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
    20532010style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    20542011style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    20562013
    20572014<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2058 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2015auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20592016style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    20602017style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20662023
    20672024<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2068 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2025auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20692026style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    20702027style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    20852042
    20862043<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2087 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2044auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20882045style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    20892046style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    2090 style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the refinement
    2091 (Pawley/Rietveld or single crystal) according to the controls set in the <b
    2092 style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b> data
    2093 tree item.</p>
    2094 
    2095 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2096 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2047style='mso-bidi-font-weight:normal'>Refine</b> &#8211; This performs the
     2048refinement (Pawley/Rietveld or single crystal) according to the controls set in
     2049the <b style='mso-bidi-font-weight:normal'><a href="#Controls">Controls</a></b>
     2050data tree item.</p>
     2051
     2052<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     2053auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    20972054style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    20982055style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21012058normal'><a href="#Controls">Controls</a></b> data tree item.</p>
    21022059
    2103 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span
     2060<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
    21042061style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    21052062style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    21072064
    21082065<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2109 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2066auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21102067style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    21112068style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21132070
    21142071<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2115 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2072auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    21162073style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    21172074style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21262083
    21272084<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2128 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2085auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    21292086style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    21302087style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21332090name.ENT). The file name is found in a directory dialog; you can change
    21342091directories as needed. Only .PDB or .ENT file names are shown. Be careful that
    2135 the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file follows
    2136 the GSAS-II conventions (e.g. with spaces between axial fields). A dialog box
    2137 is shown with the proposed phase name. You can change it if desired.</p>
     2092the space group symbol on the &#8216;CRYST1&#8217; record in the PDB file
     2093follows the GSAS-II conventions (e.g. with spaces between axial fields). A
     2094dialog box is shown with the proposed phase name. You can change it if desired.</p>
    21382095
    21392096<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2140 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2097auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    21412098style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    21422099style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21512108
    21522109<p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space:
    2153 auto;text-indent:-.25in;mso-list:l12 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
     2110auto;text-indent:-.25in;mso-list:l11 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span
    21542111style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    21552112style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21652122
    21662123<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2167 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2124auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21682125style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    21692126style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21712128
    21722129<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2173 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2130auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21742131style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    21752132style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    21762133style='mso-bidi-font-weight:normal'>Import HKLs&#8230;</b> - </p>
    21772134
    2178 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l12 level1 lfo1'><![if !supportLists]><span
     2135<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo1'><![if !supportLists]><span
    21792136style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    21802137style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    21822139
    21832140<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2184 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2141auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21852142style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    21862143style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21882145
    21892146<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2190 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2147auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21912148style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    21922149style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    21942151
    21952152<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2196 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2153auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    21972154style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    21982155style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    22002157
    22012158<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2202 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2159auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    22032160style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    22042161style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    22062163
    22072164<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2208 auto;text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2165auto;text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    22092166style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    22102167style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    22122169
    22132170<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    2214 text-indent:-.25in;mso-list:l12 level2 lfo1'><![if !supportLists]><span
     2171text-indent:-.25in;mso-list:l11 level2 lfo1'><![if !supportLists]><span
    22152172style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    22162173style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    22782235<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    22792236
    2280 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span
     2237<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    22812238style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    22822239style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    22832240style='mso-fareast-font-family:"Times New Roman"'>Select whether the refinement
    22842241uses &#8216;analytic <span class=SpellE>Jacobian</span>&#8217;, &#8216;analytic
    2285 Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and perhaps
    2286 a bit less accurate, but may be needed if the analytic functions are not fully
    2287 developed. The <span class=SpellE>Jacobian</span> matrix is shaped N x M
    2288 (parameters x observations) and is much larger than the Hessian matrix which is
    2289 shaped M x M (parameters x parameters). Generally use &#8216;analytic
     2242Hessian&#8217; or &#8216;numeric&#8217; derivatives. The last is slower and
     2243perhaps a bit less accurate, but may be needed if the analytic functions are
     2244not fully developed. The <span class=SpellE>Jacobian</span> matrix is shaped N
     2245x M (parameters x observations) and is much larger than the Hessian matrix
     2246which is shaped M x M (parameters x parameters). Generally use &#8216;analytic
    22902247Hessian&#8217; for routine work.<o:p></o:p></span></p>
    22912248
    2292 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span
     2249<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    22932250style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    22942251style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23002257to 1.0.<o:p></o:p></span></p>
    23012258
    2302 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span
     2259<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    23032260style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    23042261style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23072264the first cycle of refinement. This value is modified by the least squares
    23082265routine. The allowed range is 10<sup>-5</sup> to 100. Smaller values may be
    2309 needed if your initial <span class=GramE>refinement</span> trials immediately
    2310 diverge, however make sure your starting parameter values are
    2311 &#8216;reasonable&#8217;. The selected default (=1.0) normally gives good
    2312 performance.<o:p></o:p></span></p>
    2313 
    2314 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span
     2266needed if your initial <span class=GramE>refinement</span> trials immediately diverge,
     2267however make sure your starting parameter values are &#8216;reasonable&#8217;.
     2268The selected default (=1.0) normally gives good performance.<o:p></o:p></span></p>
     2269
     2270<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    23152271style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    23162272style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23242280cycles.<o:p></o:p></span></p>
    23252281
    2326 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l16 level1 lfo2'><![if !supportLists]><span
     2282<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo2'><![if !supportLists]><span
    23272283style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    23282284style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23552311<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    23562312
    2357 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo3'><![if !supportLists]><span
     2313<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
    23582314style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    23592315style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23622318the &#8216;Edit menu.<o:p></o:p></span></p>
    23632319
    2364 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo3'><![if !supportLists]><span
     2320<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l17 level1 lfo3'><![if !supportLists]><span
    23652321style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    23662322style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23692325
    23702326<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2371 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span
     2327auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
    23722328style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    23732329style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    23792335selected as a group for refinement. For example, if the space group for a phase
    23802336has a polar axis (e.g. the b-axis in P2<sub>1</sub>), then one atom y-parameter
    2381 is arbitrary and should be selected for a Hold to keep the structure from drifting
    2382 up or down the y-axis during refinement. If selected, a dialog box will appear
    2383 showing the list of available parameters; select one and then OK to implement
    2384 it, Cancel will cancel the operation. The held parameter will be shown in the
    2385 constraint window with the keyword &#8216;FIXED&#8217;. A Delete button can be
    2386 used to remove it.<o:p></o:p></span></p>
    2387 
    2388 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2389 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span
     2337is arbitrary and should be selected for a Hold to keep the structure from
     2338drifting up or down the y-axis during refinement. If selected, a dialog box
     2339will appear showing the list of available parameters; select one and then OK to
     2340implement it, Cancel will cancel the operation. The held parameter will be
     2341shown in the constraint window with the keyword &#8216;FIXED&#8217;. A Delete
     2342button can be used to remove it.<o:p></o:p></span></p>
     2343
     2344<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     2345auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
    23902346style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    23912347style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24062362
    24072363<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2408 auto;text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span
     2364auto;text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
    24092365style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    24102366style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24242380
    24252381<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    2426 text-indent:-.25in;mso-list:l19 level2 lfo3'><![if !supportLists]><span
     2382text-indent:-.25in;mso-list:l17 level2 lfo3'><![if !supportLists]><span
    24272383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    24282384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    24532409&#8216;p<span class=GramE>:h:name:n&#8217;</span> where p is the phase number,
    24542410h is the histogram number, name is the parameter name, and num (if needed) is
    2455 the item number (e.g. atom number). The rows are the data sets used in the sequential
    2456 refinement.</p>
     2411the item number (e.g. atom number). The rows are the data sets used in the
     2412sequential refinement.</p>
    24572413
    24582414<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     
    24742430a powder diffraction data set (prefix &#8216;PWDR&#8217;) is selected from the </span><a
    24752431href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data
    2476 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a
    2477 variety of subcategories in the tree are shown. The items that are shown depend
    2478 on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
     2432tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a variety
     2433of subcategories in the tree are shown. The items that are shown depend on the
     2434data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p>
    24792435
    24802436<h5><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><span
    24812437style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5>
    24822438
    2483 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo4'><span
     2439<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l20 level1 lfo4'><span
    24842440style='mso-bookmark:Comments'><![if !supportLists]><span style='mso-fareast-font-family:
    24852441"Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    24882444
    24892445<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    2490 text-indent:-.25in;mso-list:l20 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
     2446text-indent:-.25in;mso-list:l18 level1 lfo5'><span style='mso-bookmark:Comments'><![if !supportLists]><span
    24912447style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    24922448style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    25092465whatever comment lines (preceded by &#8220;#&#8221;) found when the powder data
    25102466file was read by GSAS-II. If you are lucky, there will be useful information
    2511 here (e.g. sample name, date collected, wavelength used, etc.). If not, this
    2512 window will be blank. The text is read-only in that anything you try to enter
    2513 here is not saved.</span></p>
     2467here (e.g. sample name, date collected, wavelength used, etc.). If not, this window
     2468will be blank. The text is read-only in that anything you try to enter here is
     2469not saved.</span></p>
    25142470
    25152471<span style='mso-bookmark:Comments'></span>
     
    25702526
    25712527<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
    2572 window shows the choice of background functions and coefficients to be used in fitting
    2573 this powder pattern. There are three types of contributions available for the
    2574 background:<o:p></o:p></span></p>
     2528window shows the choice of background functions and coefficients to be used in
     2529fitting this powder pattern. There are three types of contributions available
     2530for the background:<o:p></o:p></span></p>
    25752531
    25762532<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1).
     
    25902546"Times New Roman"'><span style='mso-tab-count:1'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span><!--[if gte msEquation 12]><m:oMath><i
    25912547 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif";
    2592  mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:2'> </span><m:r><span
    2593   style='mso-tab-count:1'> </span></m:r><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
     2548 mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count:3'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span
    25942549   style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math";
    25952550   mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style:
     
    26352590<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3).
    26362591A set of individual Bragg peaks using the pseudo-Voigt profile function as
    2637 their shapes. Their parameters are &#8216;pos&#8217;, &#8217;<span
    2638 class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp; &#8216;<span
    2639 class=SpellE>gam</span>&#8217;; each can be selected for refinement. The
    2640 default values for sig &amp; <span class=SpellE>gam</span> (=0.10) are for very
    2641 sharp peaks, you may adjust them accordingly to the kind of peak you are trying
    2642 to fit before trying to refine them.<o:p></o:p></span></p>
     2592their shapes. Their parameters are &#8216;<span class=SpellE>pos</span>&#8217;,
     2593&#8217;<span class=SpellE>int</span>&#8217;, &#8216;sig&#8217; &amp;
     2594&#8216;gam&#8217;; each can be selected for refinement. The default values for
     2595sig &amp; gam (=0.10) are for very sharp peaks, you may adjust them accordingly
     2596to the kind of peak you are trying to fit before trying to refine them.<o:p></o:p></span></p>
    26432597
    26442598<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    26452599
    2646 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2600<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    26472601style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    26482602style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26692623flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
    26702624this copies only the refinement flags shown to other selected powder patterns.
    2671 If used, a dialog box (Copy Refinement Flags) will appear showing the list of
    2672 available powder patterns, you can copy the refinement flags to any or all of
    2673 them; select &#8216;All&#8217; to copy them to all patterns. Then select
     2625If used, a dialog box (Copy Refinement Flags) will appear showing the list of available
     2626powder patterns, you can copy the refinement flags to any or all of them;
     2627select &#8216;All&#8217; to copy them to all patterns. Then select
    26742628&#8216;OK&#8217; to do the copy; &#8216;Cancel&#8217; to cancel the operation.<o:p></o:p></span></p>
    26752629
    2676 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2630<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    26772631style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    26782632style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26802634Background function from the pull down tab.<o:p></o:p></span></p>
    26812635
    2682 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2636<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    26832637style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    26842638style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26862640refine the background coefficients.<o:p></o:p></span></p>
    26872641
    2688 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2642<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    26892643style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    26902644style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26922646background coefficients to be used (1-36).<o:p></o:p></span></p>
    26932647
    2694 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2648<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    26952649style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    26962650style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    26992653mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p>
    27002654
    2701 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2655<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    27022656style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    27032657style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    27042658style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more
    27052659Debye scattering terms into the background. For each one you should enter a
    2706 sensible value for &#8216;R&#8217; &#8211; an expected <span class=SpellE>interatomic</span>
    2707 distance in an amorphous phase is appropriate. Select parameters to refine;
    2708 usually start with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
    2709 
    2710 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo7'><![if !supportLists]><span
     2660sensible value for &#8216;R&#8217; &#8211; an expected interatomic distance in
     2661an amorphous phase is appropriate. Select parameters to refine; usually start
     2662with the &#8216;A&#8217; coefficients.<o:p></o:p></span></p>
     2663
     2664<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l19 level1 lfo7'><![if !supportLists]><span
    27112665style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span
    27122666style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    27252679<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    27262680
    2727 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span
     2681<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
    27282682style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    27292683style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    27322686
    27332687<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2734 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2688auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    27352689style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    27362690style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    27422696
    27432697<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2744 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2698auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    27452699style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    27462700style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    27482702profile&#8230; - </span></b><span style='mso-fareast-font-family:"Times New Roman"'>saves
    27492703the current instrument parameter values in a simple text file (<span
    2750 class=SpellE>name.instprm</span>); you will be prompted for the file name &#8211;
    2751 do not change the extension. This file may be edited but heed the warning to
    2752 not change the parameter names, the order of the parameter records or add new
    2753 parameter records as this will invalidate the file. You may only change the
     2704class=SpellE>name.instprm</span>); you will be prompted for the file name
     2705&#8211; do not change the extension. This file may be edited but heed the warning
     2706to not change the parameter names, the order of the parameter records or add
     2707new parameter records as this will invalidate the file. You may only change the
    27542708numeric values if necessary. You can change or add comment records (begins with
    27552709&#8216;#&#8217;).<b style='mso-bidi-font-weight:normal'><o:p></o:p></b></span></p>
    27562710
    27572711<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2758 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2712auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    27592713style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    27602714style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    27652719
    27662720<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2767 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2721auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    27682722style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    27692723style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    27852739
    27862740<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2787 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2741auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    27882742style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    27892743style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    27902744style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    27912745flags </span></b><span style='mso-fareast-font-family:"Times New Roman"'>-
    2792 &#8211; this copies the instrument parameter refinement flags shown to other
    2793 selected powder patterns. If used, a dialog box (Copy refinement flags) will
    2794 appear showing the list of available powder patterns, you can copy the
    2795 instrument parameter refinement flags to any or all of them; select
    2796 &#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
    2797 do the copy; &#8216;Cancel&#8217; to cancel the operation. The copy will only
    2798 work for instrument parameters that are commensurate with the one that is
    2799 shown, e.g. single radiation patterns will not be updated from K</span><sub><span
     2746&#8211; this copies the instrument parameter refinement flags shown to other selected
     2747powder patterns. If used, a dialog box (Copy refinement flags) will appear
     2748showing the list of available powder patterns, you can copy the instrument
     2749parameter refinement flags to any or all of them; select &#8216;All&#8217; to
     2750copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
     2751&#8216;Cancel&#8217; to cancel the operation. The copy will only work for
     2752instrument parameters that are commensurate with the one that is shown, e.g.
     2753single radiation patterns will not be updated from K</span><sub><span
    28002754style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span
    28012755style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span
     
    28062760
    28072761<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    2808 auto;text-indent:-.25in;mso-list:l17 level2 lfo23;tab-stops:list 1.0in'><![if !supportLists]><span
     2762auto;text-indent:-.25in;mso-list:l16 level2 lfo10;tab-stops:list 1.0in'><![if !supportLists]><span
    28092763style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    28102764style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    28212775laboratory tube source).<o:p></o:p></span></p>
    28222776
    2823 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span
     2777<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
    28242778style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    28252779style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    28272781profile coefficients<o:p></o:p></span></p>
    28282782
    2829 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo9'><![if !supportLists]><span
     2783<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l8 level1 lfo9'><![if !supportLists]><span
    28302784style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    28312785style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    28472801fixed. All values can be changed in this window.<o:p></o:p></span></p>
    28482802
    2849 <h5><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark:
    2850 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>What can
    2851 I do here?</span></span></a><span style='mso-bookmark:Peak_List'><span
    2852 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
     2803<h5><a name="Peak_List"></a><a name="Powder_Peaks"><span style='mso-bookmark:
     2804Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>What can I
     2805do here?</span></span></a><span style='mso-bookmark:Powder_Peaks'><span
     2806style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman";
    28532807color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></span></h5>
    28542808
    2855 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo24'><span
    2856 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     2809<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l6 level1 lfo11'><span
     2810style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    28572811style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    28582812normal;mso-bidi-font-weight:bold'><span style='mso-list:Ignore'>1.<span
     
    28602814style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    28612815normal;mso-bidi-font-weight:bold'>Menu &#8216;</span></span></span><span
    2862 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     2816style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    28632817style='mso-fareast-font-family:"Times New Roman";color:windowtext'>File&#8217;</span></span></span><span
    2864 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     2818style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    28652819style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    28662820normal;mso-bidi-font-weight:bold'> &#8211; <o:p></o:p></span></span></span></h5>
    28672821
    28682822<p class=MsoListParagraphCxSpFirst style='margin-left:1.0in;mso-add-space:auto;
    2869 text-indent:-.25in;mso-list:l6 level2 lfo24;tab-stops:list 1.0in'><span
    2870 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     2823text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
     2824style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    28712825style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    28722826style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    28732827style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span
    2874 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
    2875 style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the sample
    2876 parameters shown to other selected powder patterns. If used, a dialog box (Copy
    2877 parameters) will appear showing the list of available powder patterns, you can
    2878 copy the sample parameters to any or all of them; select &#8216;All&#8217; to
    2879 copy them to all patterns. Then select &#8216;OK&#8217; to do the copy;
    2880 &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
     2828style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
     2829style='mso-fareast-font-family:"Times New Roman"'> &#8211; this copies the
     2830sample parameters shown to other selected powder patterns. If used, a dialog
     2831box (Copy parameters) will appear showing the list of available powder
     2832patterns, you can copy the sample parameters to any or all of them; select
     2833&#8216;All&#8217; to copy them to all patterns. Then select &#8216;OK&#8217; to
     2834do the copy; &#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
    28812835
    28822836<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    2883 text-indent:-.25in;mso-list:l6 level2 lfo24;tab-stops:list 1.0in'><span
    2884 style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><![if !supportLists]><span
     2837text-indent:-.25in;mso-list:l6 level2 lfo11;tab-stops:list 1.0in'><span
     2838style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><![if !supportLists]><span
    28852839style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    28862840style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    28872841style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy
    2888 flags</span></b></span></span><span style='mso-bookmark:Peak_List'><span
    2889 style='mso-bookmark:Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>
     2842flags</span></b></span></span><span style='mso-bookmark:Powder_Peaks'><span
     2843style='mso-bookmark:Peak_List'><span style='mso-fareast-font-family:"Times New Roman"'>
    28902844- &#8211; this copies the sample parameter refinement flags shown to other
    28912845selected powder patterns. If used, a dialog box (Copy refinement flags) will
     
    28952849&#8216;Cancel&#8217; to cancel the operation. <o:p></o:p></span></span></span></p>
    28962850
    2897 <h4><span style='mso-bookmark:Peak_List'><span style='mso-bookmark:Powder_Peaks'><span
     2851<h4><span style='mso-bookmark:Powder_Peaks'><span style='mso-bookmark:Peak_List'><span
    28982852style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></span><span
    28992853style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4>
     
    29102864normal;mso-bidi-font-weight:bold'><o:p></o:p></span></span></h5>
    29112865
    2912 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2866<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    29132867style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    29142868"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     
    29212875normal;mso-bidi-font-weight:bold'>&#8217; &#8211; <o:p></o:p></span></span></h5>
    29222876
    2923 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25;
     2877<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
    29242878tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    29252879style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     
    29282882class=SpellE><span style='mso-fareast-font-family:"Times New Roman";color:windowtext'>UnDo</span></span></span><span
    29292883style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    2930 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets peak
    2931 parameters, background and instrument parameter values varied in the last peak
    2932 fitting refinement back to their original values. Use this to recover from a
    2933 failed refinement. Note: <span style='mso-spacerun:yes'>&nbsp;</span>there is
     2884color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'> &#8211; resets
     2885peak parameters, background and instrument parameter values varied in the last
     2886peak fitting refinement back to their original values. Use this to recover from
     2887a failed refinement. Note:<span style='mso-spacerun:yes'>&nbsp; </span>there is
    29342888only a single level of recovery available.<o:p></o:p></span></span></h5>
    29352889
    2936 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25;
     2890<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
    29372891tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    29382892style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     
    29602914and reconsider your choice of parameters to be varied.<o:p></o:p></span></span></h5>
    29612915
    2962 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25;
     2916<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
    29632917tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    29642918style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     
    29722926started toward convergence.<o:p></o:p></span></span></h5>
    29732927
    2974 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25;
     2928<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
    29752929tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    29762930style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     
    29782932style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    29792933style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Reset sig
    2980 and <span class=SpellE>gam</span> </span></span><span style='mso-bookmark:Index_Peaks'><span
     2934and gam </span></span><span style='mso-bookmark:Index_Peaks'><span
    29812935style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
    29822936normal;mso-bidi-font-weight:bold'>&#8211; this resets the values of sigma and
     
    29842938class=GramE>X</span> &amp; Y.<o:p></o:p></span></span></h5>
    29852939
    2986 <h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l10 level2 lfo25;
     2940<h5 style='margin-left:1.0in;text-indent:-.25in;mso-list:l9 level2 lfo12;
    29872941tab-stops:list 1.0in'><span style='mso-bookmark:Index_Peaks'><![if !supportLists]><span
    29882942style='mso-fareast-font-family:"Times New Roman";color:windowtext;font-weight:
     
    29912945style='mso-fareast-font-family:"Times New Roman";color:windowtext'>Clear peaks </span></span><span
    29922946style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman";
    2993 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this removes
    2994 all the peaks from the Peak List.<o:p></o:p></span></span></h5>
    2995 
    2996 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2947color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>&#8211; this
     2948removes all the peaks from the Peak List.<o:p></o:p></span></span></h5>
     2949
     2950<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    29972951style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    29982952"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     
    30012955color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can add
    30022956peaks to the Peak list using the mouse on the plot by: 1) position the pointer
    3003 near to the top point on a peak, 2) press the left mouse button. The selected peak
    3004 will be added to the Peak List in its correct sorted order and a blue vertical
    3005 line will be plotted on that position. Be sure that the Zoom/Pan buttons are not
    3006 selected on the Plot window. We recommend that you begin picking peaks from the
    3007 right side of the pattern; that way the tool tip won&#8217;t be in your way as
    3008 you select peaks.<o:p></o:p></span></span></h5>
    3009 
    3010 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2957near to the top point on a peak, 2) press the left mouse button. The selected
     2958peak will be added to the Peak List in its correct sorted order and a blue
     2959vertical line will be plotted on that position. Be sure that the Zoom/Pan
     2960buttons are not selected on the Plot window. We recommend that you begin
     2961picking peaks from the right side of the pattern; that way the tool tip
     2962won&#8217;t be in your way as you select peaks.<o:p></o:p></span></span></h5>
     2963
     2964<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    30112965style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    30122966"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
     
    30142968</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
    30152969color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can move a
    3016 Peak List item using the mouse on the plot by: 1) position the pointer on the blue
    3017 line for the peak you wish to move, 2) holding the left mouse button down, drag
    3018 to the desired position &amp; then release the button. The peak line will be
    3019 drawn in the new position. Be sure that the Zoom/Pan buttons are not selected
    3020 on the Plot window.<o:p></o:p></span></span></h5>
    3021 
    3022 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2970Peak List item using the mouse on the plot by: 1) position the pointer on the
     2971blue line for the peak you wish to move, 2) holding the left mouse button down,
     2972drag to the desired position &amp; then release the button. The peak line will
     2973be drawn in the new position. Be sure that the Zoom/Pan buttons are not
     2974selected on the Plot window.<o:p></o:p></span></span></h5>
     2975
     2976<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    30232977style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    30242978"Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    30282982new value.<o:p></o:p></span></span></p>
    30292983
    3030 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2984<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    30312985style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    30322986"Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    30372991style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p>
    30382992
    3039 <h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l10 level1 lfo25'><span
     2993<h5 style='margin-left:.5in;text-indent:-.25in;mso-list:l9 level1 lfo12'><span
    30402994style='mso-bookmark:Index_Peaks'><![if !supportLists]><span style='mso-fareast-font-family:
    30412995"Times New Roman";color:windowtext;font-weight:normal;mso-bidi-font-weight:
    30422996bold'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
    30432997</span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman";
    3044 color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete peaks
    3045 in the Peak List by selecting rows (should appear in blue) and then pressing
    3046 the Delete key. You can also delete peaks using the mouse on the plot by
    3047 positioning the pointer on the blue line for the peak to be deleted and then
     2998color:windowtext;font-weight:normal;mso-bidi-font-weight:bold'>You can delete
     2999peaks in the Peak List by selecting rows (should appear in blue) and then
     3000pressing the Delete key. You can also delete peaks using the mouse on the plot
     3001by positioning the pointer on the blue line for the peak to be deleted and then
    30483002pressing the right mouse button. The blue line should vanish and the
    3049 corresponding peak will be removed from the Peak List. Be sure that the Zoom/Pan
    3050 buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
     3003corresponding peak will be removed from the Peak List. Be sure that the
     3004Zoom/Pan buttons are not selected on the Plot window.<o:p></o:p></span></span></h5>
    30513005
    30523006<h4><span style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:
     
    30673021<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    30683022
    3069 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l23 level1 lfo11'><![if !supportLists]><span
     3023<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
    30703024style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    30713025style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    30823036table to the position shown here.<o:p></o:p></span></p>
    30833037
    3084 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l23 level1 lfo11'><![if !supportLists]><span
     3038<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l21 level1 lfo13'><![if !supportLists]><span
    30853039style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    30863040style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    30873041style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual
    3088 peaks from indexing by <span class=SpellE>unchecking</span> the corresponding
    3089 &#8216;use&#8217; box.<o:p></o:p></span></p>
     3042peaks from indexing by unchecking the corresponding &#8216;use&#8217; box.<o:p></o:p></span></p>
    30903043
    30913044<h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span
     
    31583111<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    31593112
    3160 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     3113<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
    31613114style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    31623115style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31663119
    31673120<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3168 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3121auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    31693122style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    31703123style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31733126compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p>
    31743127
    3175 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     3128<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3129auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
     3130style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
     3131style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3132style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Search
     3133maps </span></b><span style='mso-fareast-font-family:"Times New Roman"'>&#8211;
     3134search the computed Fourier map. Peaks that are above &#8216;Peak cutoff&#8217;
     3135% of the maximum will be found in this procedure; they will be printed on the
     3136console and will be shown in the &#8216;<a href="gsasII.html">Map peaks</a>&#8217;
     3137page. This page will immediately be shown and the peaks will be shown on the structure
     3138drawing for this phase as white 3-D crosses.<o:p></o:p></span></p>
     3139
     3140<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
    31763141style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    31773142style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    31813146
    31823147<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3183 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3148auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    31843149style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    31853150style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    31903155
    31913156<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3192 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3157auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    31933158style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    31943159style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    31953160style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase
    31963161type &#8211; </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this
    3197 can only be set when there are no atoms in the Atoms page for this phase. Select
    3198 it when the phase is initialized.<u><o:p></o:p></u></span></p>
    3199 
    3200 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3201 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3162can only be set when there are no atoms in the Atoms page for this phase.
     3163Select it when the phase is initialized.<u><o:p></o:p></u></span></p>
     3164
     3165<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3166auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    32023167style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    32033168style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    32143179
    32153180<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3216 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3181auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    32173182style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    32183183style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    33153280 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/>
    33163281</v:shape><![endif]--><![if !vml]><img width=335 height=19
    3317 src="gsasII_files/image007.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
     3282src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span
    33183283style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p>
    33193284
    33203285<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3321 auto;text-indent:-.25in;mso-list:l0 level2 lfo12'><![if !supportLists]><span
     3286auto;text-indent:-.25in;mso-list:l0 level2 lfo14'><![if !supportLists]><span
    33223287style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    33233288style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    33293294the values entered.<u><o:p></o:p></u></span></p>
    33303295
    3331 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     3296<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
    33323297style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    33333298style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    33383303fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p>
    33393304
    3340 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo12'><![if !supportLists]><span
     3305<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo14'><![if !supportLists]><span
    33413306style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    33423307style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    33753340
    33763341<p class=MsoNormal>This gives a list of the atoms and bonds that are to be
    3377 rendered as lines, van <span class=SpellE>der</span> Waals radii balls, sticks,
    3378 balls &amp; sticks, ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>.
    3379 There are two menus for this tab; Edit allows modification of the list of atoms
    3380 to be rendered and Compute gives some options for geometric characterization of
     3342rendered as lines, van der Waals radii balls, sticks, balls &amp; sticks,
     3343ellipsoids &amp; sticks or <span class=SpellE>polyhedra</span>. There are two
     3344menus for this tab; Edit allows modification of the list of atoms to be
     3345rendered and Compute gives some options for geometric characterization of
    33813346selected atoms.</p>
    33823347
    33833348<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    33843349
    3385 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3350<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    33863351style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    33873352style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
     
    33943359deselect all atoms.</p>
    33953360
    3396 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3361<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    33973362style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    33983363style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Atom
     
    34073372anytime during the selection process.</p>
    34083373
    3409 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3374<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    34103375style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    34113376style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
     
    34153380those atoms to be selected.</p>
    34163381
    3417 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3382<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    34183383style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    34193384style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Double
     
    34273392aren&#8217;t rendered and thus the plot will not show any atoms or bonds!</p>
    34283393
    3429 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3394<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    34303395style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span
    34313396style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    34353400
    34363401<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3437 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3402auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34383403style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    34393404style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34423407
    34433408<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3444 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3409auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34453410style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    34463411style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34503415
    34513416<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3452 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3417auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34533418style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    34543419style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34563421the atom; a color choice dialog is displayed that covers the entire color
    34573422spectrum. Choose a color by any of the means available, press the &#8220;Add to
    3458 Custom Colors&#8221;, select that color in the Custom colors display and then press
    3459 OK.</p>
    3460 
    3461 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3462 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3423Custom Colors&#8221;, select that color in the Custom colors display and then
     3424press OK.</p>
     3425
     3426<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3427auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34633428style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    34643429style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34673432
    34683433<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3469 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3434auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34703435style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    34713436style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34743439
    34753440<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3476 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3441auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34773442style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    34783443style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    34843449
    34853450<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3486 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3451auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34873452style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    34883453style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3489 style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a symmetry
    3490 operator and unit cell translation to the set of selected atoms; they will be
    3491 changed in place. Any anisotropic thermal displacement parameters (<span
     3454style='mso-bidi-font-weight:normal'>Transform atoms</b> &#8211; apply a
     3455symmetry operator and unit cell translation to the set of selected atoms; they
     3456will be changed in place. Any anisotropic thermal displacement parameters (<span
    34923457class=SpellE>Uij</span>) will be transformed as appropriate.</p>
    34933458
    34943459<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3495 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3460auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    34963461style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    34973462style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    35023467
    35033468<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3504 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3469auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    35053470style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    35063471style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    35113476
    35123477<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3513 auto;text-indent:-.25in;mso-list:l15 level1 lfo14'><![if !supportLists]><span
     3478auto;text-indent:-.25in;mso-list:l14 level1 lfo16'><![if !supportLists]><span
    35143479style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    35153480style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    35193484table, e.g. by a structure refinement.</p>
    35203485
    3521 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo13'><![if !supportLists]><span
     3486<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l10 level1 lfo15'><![if !supportLists]><span
    35223487style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span
    35233488style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    35283493
    35293494<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3530 auto;text-indent:-.25in;mso-list:l14 level1 lfo15'><![if !supportLists]><span
     3495auto;text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
    35313496style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    35323497style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    3533 style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b
    3534 style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight:
    3535 normal'>. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected, a
    3536 distance, angle or torsion angle will be found for them. The angles are
     3498style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <b style='mso-bidi-font-weight:
     3499normal'>Tors. </b>&#8211; <span class=GramE>when</span> 2-4 atoms are selected,
     3500a distance, angle or torsion angle will be found for them. The angles are
    35373501computed for the atoms in their selection order. The torsion angle is a right
    35383502hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An
     
    35433507
    35443508<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3545 text-indent:-.25in;mso-list:l14 level1 lfo15'><![if !supportLists]><span
     3509text-indent:-.25in;mso-list:l13 level1 lfo17'><![if !supportLists]><span
    35463510style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    35473511style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
    35483512style='mso-bidi-font-weight:normal'>Best plane</b> &#8211; when 4 or more atoms
    35493513are selected, a best plane is determined for them. The result is shown on the
    3550 console window; it may be cut &amp; pasted to another application (e.g.
    3551 Microsoft Word). Shown are the atom coordinates transformed to Cartesian best
    3552 plane coordinates where the largest range is over the X-axis and the smallest
    3553 is over the Z-axis with the origin at the <span class=SpellE>unweighted</span>
    3554 center of the selection. Root mean square displacements along each axis for the
    3555 best plane are also listed. The Z-axis RMS value indicates the flatness of the
     3514console window; it may be cut &amp; pasted to another application (e.g. Microsoft
     3515Word). Shown are the atom coordinates transformed to Cartesian best plane
     3516coordinates where the largest range is over the X-axis and the smallest is over
     3517the Z-axis with the origin at the <span class=SpellE>unweighted</span> center
     3518of the selection. Root mean square displacements along each axis for the best
     3519plane are also listed. The Z-axis RMS value indicates the flatness of the
    35563520proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select
    35573521(e.g. all) atoms then Best plane will give Cartesian coordinates for these
     
    35633527<h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4>
    35643528
    3565 <p class=MsoNormal>This gives the list of reflections used in a Pawley
    3566 refinement and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
     3529<p class=MsoNormal>This gives the list of reflections used in a Pawley refinement
     3530and can only be seen if the phase type is &#8216;Pawley&#8217; (see<span
    35673531style='color:#00B0F0'> </span><a href="#General">General</a>)<span
    35683532style='color:#00B0F0'>.</span></p>
     
    35703534<h5>What can I do here?</h5>
    35713535
    3572 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
     3536<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
    35733537style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    35743538style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     
    35763540
    35773541<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3578 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span
     3542auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
    35793543style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    35803544style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    35883552
    35893553<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3590 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span
     3554auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
    35913555style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    35923556style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    35983562
    35993563<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3600 auto;text-indent:-.25in;mso-list:l13 level2 lfo17'><![if !supportLists]><span
     3564auto;text-indent:-.25in;mso-list:l12 level2 lfo19'><![if !supportLists]><span
    36013565style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    36023566style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    36043568set of Pawley reflections.</p>
    36053569
    3606 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
     3570<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
    36073571style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    36083572style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
     
    36143578error in your Pawley refinement.</p>
    36153579
    3616 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo16'><![if !supportLists]><span
     3580<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo18'><![if !supportLists]><span
    36173581style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    36183582style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>You
     
    36223586the table.</p>
    36233587
     3588<p class=MsoListParagraphCxSpLast><o:p>&nbsp;</o:p></p>
     3589
     3590<h4><a name="Map_peaks">Map peaks</a></h4>
     3591
     3592<span style='mso-bookmark:Map_peaks'></span>
     3593
     3594<p class=MsoNormal>This gives the list (magnitude, x y &amp; z) of all peaks
     3595found within the unit cell from the last Fourier map search sorted in order of
     3596decreasing peak magnitude. The crystal structure plot shows each peak position
     3597as a white 3-D cross.</p>
     3598
     3599<h5>What can I do here?<o:p></o:p></h5>
     3600
     3601<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span
     3602style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
     3603style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Select
     3604a peak with a left click on the left hand row number, hold Ctrl key down to add
     3605more peaks to your selection. Each peak selected will show as a green 3-D cross
     3606on the crystal structure plot.<o:p></o:p></p>
     3607
     3608<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l22 level1 lfo24'><![if !supportLists]><span
     3609style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
     3610style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Menu
     3611<b style='mso-bidi-font-weight:normal'>&#8216;Map peaks&#8217; </b><span
     3612style='mso-spacerun:yes'>&nbsp;</span>&#8211;</p>
     3613
     3614<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3615auto;text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span
     3616style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
     3617style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3618style='mso-bidi-font-weight:normal'>Move peaks</b> &#8211; this copies selected
     3619peaks to the <a href="gsasII.html">Atoms</a> list and the <a href="gsasII.html">Draw
     3620Atoms</a> list. They will be appended to the end of each list each with the
     3621name &#8216;UNK&#8217; and the atom type as &#8216;H&#8217;. They will also be
     3622drawn as small white spheres at their respective positions in the structure
     3623drawing. You should next go to the <a href="gsasII.html">Atoms</a> page and
     3624change the atom type to whatever element you desire; it will be renamed
     3625automatically.</p>
     3626
     3627<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
     3628text-indent:-.25in;mso-list:l22 level2 lfo24;tab-stops:list 1.0in'><![if !supportLists]><span
     3629style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
     3630style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     3631style='mso-bidi-font-weight:normal'>Clear peaks </b>&#8211; this deletes all the
     3632peaks in the map peak list; they are also removed from the crystal structure
     3633drawing plot.</p>
     3634
    36243635<div class=MsoNormal align=center style='text-align:center'><span
    36253636style='mso-fareast-font-family:"Times New Roman"'>
     
    36483659<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman";
    36493660mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032"
    3650 src=graphbar.jpg></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
     3661src=graphbar.jpg alt="Description: D:\pyGSAS\help\graphbar.jpg"></span><span
     3662style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p>
    36513663
    36523664<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These
     
    36553667<ul type=disc>
    36563668 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3657      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3669     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36583670     "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li>
    36593671 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3660      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3672     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36613673     "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li>
    36623674 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3663      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3675     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36643676     "Times New Roman"'>Forward: reverses the action in the previous press(es)
    36653677     of the Back button <o:p></o:p></span></li>
    36663678 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3667      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3679     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36683680     "Times New Roman"'>Pan: allows you to control panning across the plot
    36693681     (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li>
    36703682 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3671      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3683     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36723684     "Times New Roman"'>Zoom: allows you to select a portion of the plot (press
    36733685     right mouse button &amp; drag for zoom box) for the next plot. <o:p></o:p></span></li>
    36743686 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3675      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3687     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36763688     "Times New Roman"'>Save: allows you to save the currently displayed plot
    36773689     in one of several graphical formats suitable for printing or insertion in
    36783690     a document.<o:p></o:p></span></li>
    36793691 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto;
    3680      mso-list:l1 level1 lfo18;tab-stops:list .5in'><span style='mso-fareast-font-family:
     3692     mso-list:l1 level1 lfo20;tab-stops:list .5in'><span style='mso-fareast-font-family:
    36813693     "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li>
    36823694</ul>
     
    36983710
    36993711<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The
    3700 powder patterns that are part of your project are shown on this page. They can
    3701 be displayed as a stack of powder patterns, just a single pattern or as a
    3702 contour image of the peak intensities. What can be done here will depend on
    3703 which is displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
     3712powder patterns that are part of your project are shown on this page. They can be
     3713displayed as a stack of powder patterns, just a single pattern or as a contour
     3714image of the peak intensities. What can be done here will depend on which is
     3715displayed and on which item in the GSAS-II data tree you have selected.<o:p></o:p></span></p>
    37043716
    37053717<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    37063718
    3707 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
     3719<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
    37083720style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    37093721style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37163728style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p>
    37173729
    3718 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
     3730<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
    37193731style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    37203732style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>On
     
    37243736
    37253737<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3726 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3738auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37273739style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    37283740style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37333745
    37343746<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3735 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3747auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37363748style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    37373749style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    37383750class=GramE><b style='mso-bidi-font-weight:normal'>r</b></span><b
    3739 style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot of
    3740 multiple powder profiles, increase the offset to the left. Does not apply if
     3751style='mso-bidi-font-weight:normal'>: offset right</b> - for a waterfall plot
     3752of multiple powder profiles, increase the offset to the left. Does not apply if
    37413753only one pattern.</p>
    37423754
    37433755<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3744 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3756auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37453757style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    37463758style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37513763
    37523764<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3753 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3765auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37543766style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    37553767style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37603772
    37613773<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3762 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3774auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37633775style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    37643776style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37693781
    37703782<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3771 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3783auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37723784style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span
    37733785style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37783790
    37793791<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3780 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3792auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37813793style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span
    37823794style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    37883800
    37893801<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3790 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3802auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    37913803style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span
    37923804style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    37973809
    37983810<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3799 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3811auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38003812style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span
    38013813style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    38063818
    38073819<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3808 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3820auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38093821style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span
    38103822style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;
     
    38163828
    38173829<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3818 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3830auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38193831style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>k.<span
    38203832style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    38223834profiles, only the observed curve is shown.</p>
    38233835
    3824 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
     3836<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
    38253837style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    38263838style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    38293841
    38303842<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3831 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3843auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38323844style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    38333845style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    38393851
    38403852<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3841 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3853auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38423854style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    38433855style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    38473859
    38483860<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3849 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3861auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38503862style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span
    38513863style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
    3852 class=SpellE><span class=GramE><b style='mso-bidi-font-weight:normal'><span
    3853 style='mso-fareast-font-family:"Times New Roman"'>i</span></b></span></span><b
    3854 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>:
    3855 interpolation method</span></b><span style='mso-fareast-font-family:"Times New Roman"'>
    3856 &#8211; this changes the method used to represent the contours. If selected a
    3857 dialog box appears with all the possible choices. Default is
    3858 &#8216;nearest&#8217;; the other useful choice is &#8216;bilinear&#8217;, this
    3859 will smooth out the contours. <o:p></o:p></span></p>
    3860 
    3861 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3862 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3864class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:
     3865"Times New Roman"'>i</span></b></span><b style='mso-bidi-font-weight:normal'><span
     3866style='mso-fareast-font-family:"Times New Roman"'>: interpolation method</span></b><span
     3867style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
     3868method used to represent the contours. If selected a dialog box appears with
     3869all the possible choices. Default is &#8216;nearest&#8217;; the other useful
     3870choice is &#8216;bilinear&#8217;, this will smooth out the contours. <o:p></o:p></span></p>
     3871
     3872<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3873auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38633874style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span
    38643875style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    38683879style='mso-fareast-font-family:"Times New Roman"'> &#8211; this changes the
    38693880color scheme for the contouring. Default is <span class=GramE>&#8216;Paired&#8217;,</span>
    3870 black/ white options are &#8216;<span class=SpellE>Greys&#8217;</span> and
    3871 &#8216;binary&#8217; (for black on white) or &#8216;gray&#8217; (for white on
    3872 black). Others can be very colorful (but not useful)!<o:p></o:p></span></p>
    3873 
    3874 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3875 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3881black/ white options are &#8216;Greys&#8217; and &#8216;binary&#8217; (for
     3882black on white) or &#8216;gray&#8217; (for white on black). Others can be very
     3883colorful (but not useful)!<o:p></o:p></span></p>
     3884
     3885<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
     3886auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38763887style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span
    38773888style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    38823893contouring and returns to a waterfall plot with any offsets applied.<o:p></o:p></span></p>
    38833894
    3884 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span
     3895<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l4 level1 lfo21'><![if !supportLists]><span
    38853896style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span
    38863897style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    38903901
    38913902<p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space:
    3892 auto;text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3903auto;text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    38933904style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span
    38943905style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><b
     
    39023913
    39033914<p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto;
    3904 text-indent:-.25in;mso-list:l4 level2 lfo19;tab-stops:list 1.0in'><![if !supportLists]><span
     3915text-indent:-.25in;mso-list:l4 level2 lfo21;tab-stops:list 1.0in'><![if !supportLists]><span
    39053916style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span
    39063917style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    39213932<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    39223933
    3923 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span
     3934<p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
    39243935style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span
    39253936style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Move
     
    39303941status bar.</p>
    39313942
    3932 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span
     3943<p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
    39333944style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span
    39343945style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]>Use
     
    39363947matrix. </p>
    39373948
    3938 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo20'><![if !supportLists]><span
     3949<p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo22'><![if !supportLists]><span
    39393950style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span
    39403951style='font:7.0pt "Times New Roman"'>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; </span></span></span><![endif]><span
     
    39823993the instrument contribution that were set when the powder pattern was first
    39833994read in to GSAS-II. If individual peak fitting has been performed, the values
    3984 of &#8216;sig&#8217; &amp; &#8216;<span class=SpellE>gam</span>&#8217; for the
    3985 peaks are plotted as &#8216;+&#8217;; these are computed from the fitted values
    3986 of U, V, W, X and Y as well as any sig or <span class=SpellE>gam</span>
    3987 individually refined.<o:p></o:p></span></p>
     3995of &#8216;sig&#8217; &amp; &#8216;gam&#8217; for the peaks are plotted as
     3996&#8216;+&#8217;; these are computed from the fitted values of U, V, W, X and Y
     3997as well as any sig or gam individually refined.<o:p></o:p></span></p>
    39883998
    39893999<h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4>
     
    40504060<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
    40514061
     4062<h4><span style='mso-fareast-font-family:"Times New Roman"'>Crystal Structure<o:p></o:p></span></h4>
     4063
     4064<p class=MsoNormal>This plot shows the atoms of the crystal structure. The atoms
     4065are displayed according to the controls in the <a href="gsasII.html">Draw Options</a>
     4066page.</p>
     4067
     4068<h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5>
     4069
    40524070<p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p>&nbsp;</o:p></span></p>
    40534071
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