Changeset 493
- Timestamp:
- Feb 24, 2012 1:11:44 PM (12 years ago)
- Location:
- trunk
- Files:
-
- 5 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r492 r493 331 331 332 332 def _init_coll_Import_Items(self,parent): 333 # self.ImportPhase = parent.Append(help='Import phase data from GSAS EXP file',334 # id=wxID_IMPORTPHASE, kind=wx.ITEM_NORMAL,text='Import GSAS EXP Phase...')335 # self.ImportPDB = parent.Append(help='Import phase data from PDB file',336 # id=wxID_IMPORTPDB, kind=wx.ITEM_NORMAL,text='Import PDB Phase...')337 # self.ImportCIF = parent.Append(help='Import phase data from cif file',id=wxID_IMPORTCIF, kind=wx.ITEM_NORMAL,338 # text='Import CIF Phase...')339 333 self.ImportPattern = parent.Append(help='',id=wxID_IMPORTPATTERN, kind=wx.ITEM_NORMAL, 340 334 text='Import Powder Pattern...') 341 335 self.ImportHKL = parent.Append(help='',id=wxID_IMPORTHKL, kind=wx.ITEM_NORMAL, 342 336 text='Import HKLs...') 343 # self.Bind(wx.EVT_MENU, self.OnImportPhase, id=wxID_IMPORTPHASE)344 # self.Bind(wx.EVT_MENU, self.OnImportPDB, id=wxID_IMPORTPDB)345 # self.Bind(wx.EVT_MENU, self.OnImportCIF, id=wxID_IMPORTCIF)346 337 self.Bind(wx.EVT_MENU, self.OnImportPattern, id=wxID_IMPORTPATTERN) 347 338 self.Bind(wx.EVT_MENU, self.OnImportHKL, id=wxID_IMPORTHKL) -
trunk/GSASIIgrid.py
r486 r493 32 32 htmlFrame = None 33 33 if sys.platform.lower().startswith('win'): 34 # helpMode = 'browser' # need a global control to set this 34 35 helpMode = 'internal' # need a global control to set this 35 36 else: … … 107 108 def ShowHelp(helpType,frame): 108 109 '''Called to bring up a web page for documentation.''' 109 global helpLocDict110 global helpMode111 110 # look up a definition for help info from dict 112 111 helplink = helpLocDict.get(helpType) … … 114 113 # no defined link to use, create a default based on key 115 114 helplink = 'gsasII.html#'+helpType.replace(' ','_') 116 print helplink117 115 helplink = os.path.join(path2GSAS2,'help',helplink) 118 116 if helpMode == 'internal': 119 global htmlPanel, htmlFrame120 117 try: 121 118 htmlPanel.LoadFile(helplink) 122 119 htmlFrame.Raise() 123 120 except: 124 htmlFrame = wx.Frame(frame, -1, size=(610, 450))121 htmlFrame = wx.Frame(frame, -1, size=(610, 510)) 125 122 htmlFrame.Show(True) 126 123 htmlFrame.SetTitle("HTML Window") # N.B. reset later in LoadFile … … 128 125 htmlPanel.LoadFile(helplink) 129 126 else: 130 global htmlFirstUse131 #import webbrowser132 127 if htmlFirstUse: 133 128 webbrowser.open_new("file://"+helplink) … … 153 148 if helpType is not None: 154 149 helpobj = self.Append(text='Help on '+helpType, 155 150 id=wx.ID_ANY, kind=wx.ITEM_NORMAL) 156 151 frame.Bind(wx.EVT_MENU, self.OnHelp, helpobj) 157 152 self.Append(help='', id=wx.ID_ABOUT, kind=wx.ITEM_NORMAL, 158 153 text='&About GSAS-II') 159 154 frame.Bind(wx.EVT_MENU, self.OnHelpAbout, id=wx.ID_ABOUT) 160 155 … … 190 185 back = wx.Button(self, -1, "Back") 191 186 back.Bind(wx.EVT_BUTTON, self.OnBack) 187 self.htmlwin = G2HtmlWindow(self, id, size=(602,450)) 188 sizer.Add(self.htmlwin, 1,wx.EXPAND) 192 189 sizer.Add(back, 0, wx.ALIGN_LEFT, 0) 193 194 #self.htmlwin = wx.html.HtmlWindow(self, id, size=(602,310))195 self.htmlwin = G2HtmlWindow(self, id, size=(602,450))196 sizer.Add(self.htmlwin, 1, wx.GROW|wx.ALL, 0)197 190 self.SetSizer(sizer) 198 191 sizer.Fit(frame) 192 self.Bind(wx.EVT_SIZE,self.OnSize) 193 def OnSize(self,event): #does the job but weirdly!! 194 anchor = self.htmlwin.GetOpenedAnchor() 195 if anchor: 196 self.htmlwin.ScrollToAnchor(anchor) 197 wx.CallAfter(self.htmlwin.ScrollToAnchor,anchor) 198 event.Skip() 199 199 def OnBack(self, event): 200 200 self.htmlwin.HistoryBack() … … 210 210 if helpanchor is not None: 211 211 self.htmlwin.ScrollToAnchor(helpanchor) 212 xs,ys = self.htmlwin.GetViewStart() 213 self.htmlwin.Scroll(xs,ys-1) 212 214 213 215 class G2HtmlWindow(wx.html.HtmlWindow): … … 222 224 def OnLinkClicked(self, *args, **kwargs): 223 225 wx.html.HtmlWindow.OnLinkClicked(self, *args, **kwargs) 226 xs,ys = self.GetViewStart() 227 self.Scroll(xs,ys-1) 224 228 self.TitlePage() 225 229 def HistoryBack(self, *args, **kwargs): … … 320 324 self.PeakEdit = wx.Menu(title='') 321 325 self.PeakMenu.Append(menu=self.PeakEdit, title='Peak Fitting') 322 self.PeakMenu.Append(menu=MyHelp(self,helpType='P owder Peaks'),title='&Help')326 self.PeakMenu.Append(menu=MyHelp(self,helpType='Peak List'),title='&Help') 323 327 self.UnDo = self.PeakEdit.Append(help='Undo last least squares refinement', 324 328 id=wxID_UNDO, kind=wx.ITEM_NORMAL,text='UnDo') … … 339 343 self.IndPeaksEdit = wx.Menu(title='') 340 344 self.IndPeaksMenu.Append(menu=self.IndPeaksEdit,title='Operations') 341 self.IndPeaksMenu.Append(menu=MyHelp(self,helpType='Index Peak s'),title='&Help')345 self.IndPeaksMenu.Append(menu=MyHelp(self,helpType='Index Peak List'),title='&Help') 342 346 self.IndPeaksEdit.Append(help='Load/Reload index peaks from peak list',id=wxID_INDXRELOAD, 343 347 kind=wx.ITEM_NORMAL,text='Load/Reload') … … 347 351 self.IndexEdit = wx.Menu(title='') 348 352 self.IndexMenu.Append(menu=self.IndexEdit, title='Cell Index/Refine') 349 self.IndexMenu.Append(menu=MyHelp(self,helpType=' Cell Indexing Refine'),title='&Help')353 self.IndexMenu.Append(menu=MyHelp(self,helpType='Unit Cells List'),title='&Help') 350 354 self.IndexPeaks = self.IndexEdit.Append(help='', id=wxID_INDEXPEAKS, kind=wx.ITEM_NORMAL, 351 355 text='Index Cell') … … 373 377 self.ImageEdit = wx.Menu(title='') 374 378 self.ImageMenu.Append(menu=self.ImageEdit, title='Operations') 375 self.ImageMenu.Append(menu=MyHelp(self,helpType='Image s'),title='&Help')379 self.ImageMenu.Append(menu=MyHelp(self,helpType='Image Controls'),title='&Help') 376 380 self.ImageEdit.Append(help='Calibrate detector by fitting to calibrant lines', 377 381 id=wxID_IMCALIBRATE, kind=wx.ITEM_NORMAL,text='Calibrate') … … 736 740 if 'deriv type' not in data: 737 741 data = {} 738 data['deriv type'] = 'analytic Jacobian'742 data['deriv type'] = 'analytic Hessian' 739 743 data['min dM/M'] = 0.0001 740 744 data['shift factor'] = 1. 745 data['max cyc'] = 3 741 746 if 'shift factor' not in data: 742 747 data['shift factor'] = 1. … … 744 749 data['max cyc'] = 3 745 750 #end patch 746 '''747 #Fourier controls748 'mapType':'Fobs','d-max':100.,'d-min':0.2,'histograms':[],749 'stepSize':[0.5,0.5,0.5],'minX':[0.,0.,0.],'maxX':[1.0,1.0,1.0],750 '''751 751 def SeqSizer(): 752 752 -
trunk/GSASIIplot.py
r484 r493 170 170 Page = self.GetParent().GetParent() 171 171 pageNo = Page.GetSelection() 172 print 'Matplotlib help on '+Page.GetPageText(pageNo) 173 G2gd.ShowHelp(Page.GetPageText(pageNo),self.TopLevelParent) 172 bookmark = Page.GetPageText(pageNo) 173 bookmark = bookmark.strip(')').replace('(','_') 174 G2gd.ShowHelp(bookmark,self.TopLevelParent) 174 175 175 176 def PlotSngl(self,newPlot=False): -
trunk/GSASIIstruct.py
r491 r493 221 221 return Histograms,Phases 222 222 223 #def GPXBackup(GPXfile,makeBack=True): #not work correctly 224 # import distutils.file_util as dfu 225 # GPXpath,GPXname = ospath.split(GPXfile) 226 # if GPXpath == '': GPXpath = '.' 227 # Name = ospath.splitext(GPXname)[0] 228 # files = os.listdir(GPXpath) 229 # last = 0 230 # for name in files: 231 # name = name.split('.') 232 # if len(name) >= 3 and name[0] == Name and 'bak' in name[-2]: 233 # if makeBack: 234 # last = max(last,int(name[-2].strip('bak'))+1) 235 # else: 236 # last = max(last,int(name[-2].strip('bak'))) 237 # GPXback = ospath.join(GPXpath,GPXname.rstrip('.'.join(name[-2:]))+'.bak'+str(last)+'.gpx') 238 # dfu.copy_file(GPXfile,GPXback) 239 # return GPXback 240 # 241 def GPXBackup(GPXfile,makeBack=True): #recovered old one 242 import distutils.file_util as dfu 223 def getBackupName2(GPXfile,makeBack=True): #not work correctly 224 GPXpath,GPXname = ospath.split(GPXfile) 225 if GPXpath == '': GPXpath = '.' 226 Name = ospath.splitext(GPXname)[0] 227 files = os.listdir(GPXpath) 228 last = 0 229 for name in files: 230 name = name.split('.') 231 if len(name) >= 3 and name[0] == Name and 'bak' in name[-2]: 232 if makeBack: 233 last = max(last,int(name[-2].strip('bak'))+1) 234 else: 235 last = max(last,int(name[-2].strip('bak'))) 236 GPXback = ospath.join(GPXpath,GPXname.rstrip('.'.join(name[-2:]))+'.bak'+str(last)+'.gpx') 237 return GPXback 238 239 def getBackupName(GPXfile,makeBack): #recovered old one 243 240 GPXpath,GPXname = ospath.split(GPXfile) 244 241 if GPXpath == '': GPXpath = '.' … … 254 251 last = max(last,int(name[1].strip('bak'))) 255 252 GPXback = ospath.join(GPXpath,ospath.splitext(GPXname)[0]+'.bak'+str(last)+'.gpx') 253 return GPXback 254 255 def GPXBackup(GPXfile,makeBack=True): 256 import distutils.file_util as dfu 257 GPXback = getBackupName(GPXfile,makeBack) 256 258 dfu.copy_file(GPXfile,GPXback) 257 259 return GPXback -
trunk/help/gsasII.html
r486 r493 25 25 <o:Author>Von Dreele</o:Author> 26 26 <o:LastAuthor>Von Dreele</o:LastAuthor> 27 <o:Revision> 40</o:Revision>28 <o:TotalTime>2 050</o:TotalTime>27 <o:Revision>61</o:Revision> 28 <o:TotalTime>2337</o:TotalTime> 29 29 <o:Created>2011-11-28T16:49:00Z</o:Created> 30 <o:LastSaved>2012-02- 17T20:15:00Z</o:LastSaved>30 <o:LastSaved>2012-02-24T18:50:00Z</o:LastSaved> 31 31 <o:Pages>6</o:Pages> 32 <o:Words>4 349</o:Words>33 <o:Characters>2 4791</o:Characters>32 <o:Words>4737</o:Words> 33 <o:Characters>27001</o:Characters> 34 34 <o:Company>Argonne National Laboratory</o:Company> 35 <o:Lines>2 06</o:Lines>36 <o:Paragraphs> 58</o:Paragraphs>37 <o:CharactersWithSpaces> 29082</o:CharactersWithSpaces>35 <o:Lines>225</o:Lines> 36 <o:Paragraphs>63</o:Paragraphs> 37 <o:CharactersWithSpaces>31675</o:CharactersWithSpaces> 38 38 <o:Version>12.00</o:Version> 39 39 </o:DocumentProperties> 40 40 </xml><![endif]--> 41 <link rel=dataStoreItem href="gsasII_files/item00 08.xml"42 target="gsasII_files/props00 09.xml">41 <link rel=dataStoreItem href="gsasII_files/item0010.xml" 42 target="gsasII_files/props0011.xml"> 43 43 <link rel=themeData href="gsasII_files/themedata.thmx"> 44 44 <link rel=colorSchemeMapping href="gsasII_files/colorschememapping.xml"> … … 472 472 font-weight:bold;} 473 473 a:link, span.MsoHyperlink 474 {mso-style-priority:99; 474 {mso-style-noshow:yes; 475 mso-style-priority:99; 475 476 color:blue; 476 477 text-decoration:underline; … … 727 728 mso-hansi-font-family:"Courier New"; 728 729 mso-bidi-font-family:"Courier New";} 729 span. 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mso-level-number-position:left;1067 text-indent:-.25in;}1068 @list l7:level71069 {mso-level-tab-stop:3.5in;1070 mso-level-number-position:left;1071 text-indent:-.25in;}1072 @list l7:level81073 {mso-level-tab-stop:4.0in;1074 mso-level-number-position:left;1075 text-indent:-.25in;}1076 @list l7:level91077 {mso-level-tab-stop:4.5in;1078 mso-level-number-position:left;1079 text-indent:-.25in;}1080 @list l81081 {mso-list-id:919948450;1082 mso-list-type:hybrid;1083 mso-list-template-ids:-1980985146 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1084 @list l8:level11085 {mso-level-tab-stop:none;1086 mso-level-number-position:left;1087 text-indent:-.25in;}1088 1122 @list l8:level2 1089 {mso-level-tab-stop:1.0in; 1123 {mso-level-number-format:alpha-lower; 1124 mso-level-tab-stop:none; 1090 1125 mso-level-number-position:left; 1091 1126 text-indent:-.25in;} … … 1119 1154 text-indent:-.25in;} 1120 1155 @list l9 1121 {mso-list-id:1 035230400;1156 {mso-list-id:1162892763; 1122 1157 mso-list-type:hybrid; 1123 mso-list-template-ids: -2012591744 6769870367698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1158 mso-list-template-ids:2091276960 -1984140816 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1124 1159 @list l9:level1 1125 {mso-level-tab-stop:none;1126 mso-level-number-position:left;1127 text-indent:-.25in;}1128 @list l9:level21129 1160 {mso-level-number-format:alpha-lower; 1130 1161 mso-level-tab-stop:none; 1131 1162 mso-level-number-position:left; 1163 margin-left:1.0in; 1164 text-indent:-.25in;} 1165 @list l9:level2 1166 {mso-level-tab-stop:1.0in; 1167 mso-level-number-position:left; 1132 1168 text-indent:-.25in;} 1133 1169 @list l9:level3 … … 1160 1196 text-indent:-.25in;} 1161 1197 @list l10 1162 {mso-list-id:1 074664733;1198 {mso-list-id:1323200535; 1163 1199 mso-list-type:hybrid; 1164 mso-list-template-ids: 2033622918 114124523067698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1200 mso-list-template-ids:-720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1165 1201 @list l10:level1 1166 1202 {mso-level-number-format:alpha-lower; … … 1168 1204 mso-level-number-position:left; 1169 1205 margin-left:1.0in; 1170 text-indent:-.25in; 1171 mso-ansi-font-weight:normal;} 1206 text-indent:-.25in;} 1172 1207 @list l10:level2 1173 {mso-level-number-format:alpha-lower; 1174 mso-level-tab-stop:none; 1208 {mso-level-tab-stop:1.0in; 1209 mso-level-number-position:left; 1210 text-indent:-.25in;} 1211 @list l10:level3 1212 {mso-level-tab-stop:1.5in; 1213 mso-level-number-position:left; 1214 text-indent:-.25in;} 1215 @list l10:level4 1216 {mso-level-tab-stop:2.0in; 1217 mso-level-number-position:left; 1218 text-indent:-.25in;} 1219 @list l10:level5 1220 {mso-level-tab-stop:2.5in; 1221 mso-level-number-position:left; 1222 text-indent:-.25in;} 1223 @list l10:level6 1224 {mso-level-tab-stop:3.0in; 1225 mso-level-number-position:left; 1226 text-indent:-.25in;} 1227 @list l10:level7 1228 {mso-level-tab-stop:3.5in; 1229 mso-level-number-position:left; 1230 text-indent:-.25in;} 1231 @list l10:level8 1232 {mso-level-tab-stop:4.0in; 1233 mso-level-number-position:left; 1234 text-indent:-.25in;} 1235 @list l10:level9 1236 {mso-level-tab-stop:4.5in; 1175 1237 mso-level-number-position:left; 1176 1238 text-indent:-.25in;} 1177 1239 @list l11 1178 {mso-list-id:1 162892763;1240 {mso-list-id:1326516832; 1179 1241 mso-list-type:hybrid; 1180 mso-list-template-ids: 2091276960 -198414081667698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1242 mso-list-template-ids:1433942448 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1181 1243 @list l11:level1 1182 {mso-level-number-format:alpha-lower; 1183 mso-level-tab-stop:none; 1184 mso-level-number-position:left; 1185 margin-left:1.0in; 1244 {mso-level-tab-stop:none; 1245 mso-level-number-position:left; 1186 1246 text-indent:-.25in;} 1187 1247 @list l11:level2 … … 1218 1278 text-indent:-.25in;} 1219 1279 @list l12 1220 {mso-list-id:1 323200535;1280 {mso-list-id:1453328047; 1221 1281 mso-list-type:hybrid; 1222 mso-list-template-ids: -720724778 859726762 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1282 mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1223 1283 @list l12:level1 1224 1284 {mso-level-number-format:alpha-lower; … … 1226 1286 mso-level-number-position:left; 1227 1287 margin-left:1.0in; 1228 text-indent:-.25in;} 1288 text-indent:-.25in; 1289 mso-ansi-font-weight:normal;} 1229 1290 @list l12:level2 1230 1291 {mso-level-tab-stop:1.0in; … … 1260 1321 text-indent:-.25in;} 1261 1322 @list l13 1262 {mso-list-id:1 326516832;1323 {mso-list-id:1602683002; 1263 1324 mso-list-type:hybrid; 1264 mso-list-template-ids:1 43394244867698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1325 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1265 1326 @list l13:level1 1266 1327 {mso-level-tab-stop:none; … … 1268 1329 text-indent:-.25in;} 1269 1330 @list l13:level2 1270 {mso-level-tab-stop:1.0in; 1331 {mso-level-number-format:alpha-lower; 1332 mso-level-tab-stop:none; 1271 1333 mso-level-number-position:left; 1272 1334 text-indent:-.25in;} … … 1300 1362 text-indent:-.25in;} 1301 1363 @list l14 1302 {mso-list-id:1 399133343;1364 {mso-list-id:1669404025; 1303 1365 mso-list-type:hybrid; 1304 mso-list-template-ids:-1 609646662 6769870367698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1366 mso-list-template-ids:-1814001090 1141245230 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1305 1367 @list l14:level1 1306 {mso-level-tab-stop:none;1307 mso-level-number-position:left;1308 text-indent:-.25in;}1309 @list l151310 {mso-list-id:1453328047;1311 mso-list-type:hybrid;1312 mso-list-template-ids:768896778 -756651182 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1313 @list l15:level11314 1368 {mso-level-number-format:alpha-lower; 1315 1369 mso-level-tab-stop:none; … … 1318 1372 text-indent:-.25in; 1319 1373 mso-ansi-font-weight:normal;} 1374 @list l14:level2 1375 {mso-level-tab-stop:1.0in; 1376 mso-level-number-position:left; 1377 text-indent:-.25in;} 1378 @list l14:level3 1379 {mso-level-tab-stop:112.5pt; 1380 mso-level-number-position:left; 1381 margin-left:112.5pt; 1382 text-indent:-.25in;} 1383 @list l14:level4 1384 {mso-level-tab-stop:2.0in; 1385 mso-level-number-position:left; 1386 text-indent:-.25in;} 1387 @list l14:level5 1388 {mso-level-tab-stop:2.5in; 1389 mso-level-number-position:left; 1390 text-indent:-.25in;} 1391 @list l14:level6 1392 {mso-level-tab-stop:3.0in; 1393 mso-level-number-position:left; 1394 text-indent:-.25in;} 1395 @list l14:level7 1396 {mso-level-tab-stop:3.5in; 1397 mso-level-number-position:left; 1398 text-indent:-.25in;} 1399 @list l14:level8 1400 {mso-level-tab-stop:4.0in; 1401 mso-level-number-position:left; 1402 text-indent:-.25in;} 1403 @list l14:level9 1404 {mso-level-tab-stop:4.5in; 1405 mso-level-number-position:left; 1406 text-indent:-.25in;} 1407 @list l15 1408 {mso-list-id:1753089587; 1409 mso-list-template-ids:1555050902;} 1410 @list l15:level1 1411 {mso-level-tab-stop:none; 1412 mso-level-number-position:left; 1413 text-indent:-.25in;} 1320 1414 @list l15:level2 1321 1415 {mso-level-tab-stop:1.0in; … … 1351 1445 text-indent:-.25in;} 1352 1446 @list l16 1353 {mso-list-id:1602683002; 1354 mso-list-type:hybrid; 1355 mso-list-template-ids:120980256 67698703 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1447 {mso-list-id:2029942403; 1448 mso-list-template-ids:1555050902;} 1356 1449 @list l16:level1 1357 1450 {mso-level-tab-stop:none; … … 1359 1452 text-indent:-.25in;} 1360 1453 @list l16:level2 1361 {mso-level-number-format:alpha-lower; 1362 mso-level-tab-stop:none; 1454 {mso-level-tab-stop:1.0in; 1363 1455 mso-level-number-position:left; 1364 1456 text-indent:-.25in;} … … 1392 1484 text-indent:-.25in;} 1393 1485 @list l17 1394 {mso-list-id: 1669404025;1486 {mso-list-id:2095858496; 1395 1487 mso-list-type:hybrid; 1396 mso-list-template-ids:- 1814001090 114124523067698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;}1488 mso-list-template-ids:-2088890812 709683864 67698713 67698715 67698703 67698713 67698715 67698703 67698713 67698715;} 1397 1489 @list l17:level1 1398 {mso-level-number-format:alpha-lower; 1399 mso-level-tab-stop:none; 1400 mso-level-number-position:left; 1401 margin-left:1.0in; 1402 text-indent:-.25in; 1403 mso-ansi-font-weight:normal;} 1490 {mso-level-tab-stop:none; 1491 mso-level-number-position:left; 1492 text-indent:-.25in;} 1404 1493 @list l17:level2 1405 1494 {mso-level-tab-stop:1.0in; … … 1407 1496 text-indent:-.25in;} 1408 1497 @list l17:level3 1409 {mso-level-tab-stop:112.5pt; 1410 mso-level-number-position:left; 1411 margin-left:112.5pt; 1498 {mso-level-tab-stop:1.5in; 1499 mso-level-number-position:left; 1412 1500 text-indent:-.25in;} 1413 1501 @list l17:level4 … … 1436 1524 text-indent:-.25in;} 1437 1525 @list l18 1438 {mso-list-id:1753089587;1439 mso-list-template-ids:1555050902;}1440 @list l18:level11441 {mso-level-tab-stop:none;1442 mso-level-number-position:left;1443 text-indent:-.25in;}1444 @list l18:level21445 {mso-level-tab-stop:1.0in;1446 mso-level-number-position:left;1447 text-indent:-.25in;}1448 @list l18:level31449 {mso-level-tab-stop:1.5in;1450 mso-level-number-position:left;1451 text-indent:-.25in;}1452 @list l18:level41453 {mso-level-tab-stop:2.0in;1454 mso-level-number-position:left;1455 text-indent:-.25in;}1456 @list l18:level51457 {mso-level-tab-stop:2.5in;1458 mso-level-number-position:left;1459 text-indent:-.25in;}1460 @list l18:level61461 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text-indent:-.25in;} 1537 @list l18:level3 1538 {mso-level-tab-stop:1.5in; 1539 mso-level-number-position:left; 1540 text-indent:-.25in;} 1541 @list l18:level4 1542 {mso-level-tab-stop:2.0in; 1543 mso-level-number-position:left; 1544 text-indent:-.25in;} 1545 @list l18:level5 1546 {mso-level-tab-stop:2.5in; 1547 mso-level-number-position:left; 1548 text-indent:-.25in;} 1549 @list l18:level6 1550 {mso-level-tab-stop:3.0in; 1551 mso-level-number-position:left; 1552 text-indent:-.25in;} 1553 @list l18:level7 1554 {mso-level-tab-stop:3.5in; 1555 mso-level-number-position:left; 1556 text-indent:-.25in;} 1557 @list l18:level8 1558 {mso-level-tab-stop:4.0in; 1559 mso-level-number-position:left; 1560 text-indent:-.25in;} 1561 @list l18:level9 1562 {mso-level-tab-stop:4.5in; 1521 1563 mso-level-number-position:left; 1522 1564 text-indent:-.25in;} … … 1548 1590 <link href=gsasIIfav.png rel="SHORTCUT ICON"> 1549 1591 <!--[if gte mso 9]><xml> 1550 <o:shapedefaults v:ext="edit" spidmax="1 0242"/>1592 <o:shapedefaults v:ext="edit" spidmax="12290"/> 1551 1593 </xml><![endif]--><!--[if gte mso 9]><xml> 1552 1594 <o:shapelayout v:ext="edit"> … … 1579 1621 <v:path o:extrusionok="f" gradientshapeok="t" o:connecttype="rect"/> 1580 1622 <o:lock v:ext="edit" aspectratio="t"/> 1581 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s10 39" type="#_x0000_t75"1623 </v:shapetype><v:shape id="Picture_x0020_2" o:spid="_x0000_s1041" type="#_x0000_t75" 1582 1624 alt="GSAS-II logo" style='position:absolute;margin-left:56pt;margin-top:0; 1583 1625 width:96pt;height:96pt;z-index:1;visibility:visible;mso-wrap-style:square; … … 1615 1657 </span></div> 1616 1658 1617 <h2><a name="Data_tree">< span style='mso-fareast-font-family:"Times New Roman"'>1.1618 GSAS-II data tree< /span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2>1659 <h2><a name="Data_tree"></a><span style='mso-fareast-font-family:"Times New Roman"'>1. 1660 GSAS-II data tree<o:p></o:p></span></h2> 1619 1661 1620 1662 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This … … 1631 1673 as outlined below: <o:p></o:p></span></p> 1632 1674 1633 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1675 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span 1634 1676 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1635 1677 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1637 1679 1638 1680 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1639 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1681 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1640 1682 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1641 1683 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1650 1692 1651 1693 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1652 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1694 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1653 1695 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1654 1696 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1662 1704 1663 1705 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1664 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1706 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1665 1707 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1666 1708 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1672 1714 1673 1715 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1674 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1716 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1675 1717 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1676 1718 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1681 1723 1682 1724 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1683 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1725 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1684 1726 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1685 1727 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1690 1732 option) GSAS-II; useful for escaping from GSAS-II if needed.</span></p> 1691 1733 1692 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1734 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span 1693 1735 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1694 1736 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1696 1738 1697 1739 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1698 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1740 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1699 1741 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1700 1742 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1710 1752 1711 1753 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1712 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1754 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1713 1755 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1714 1756 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1723 1765 1724 1766 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1725 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1767 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1726 1768 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1727 1769 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1732 1774 1733 1775 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1734 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1776 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1735 1777 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1736 1778 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1738 1780 1739 1781 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1740 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1782 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1741 1783 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1742 1784 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1744 1786 1745 1787 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1746 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1788 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1747 1789 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1748 1790 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1750 1792 1751 1793 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1752 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1794 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1753 1795 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 1754 1796 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1756 1798 1757 1799 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1758 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1800 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1759 1801 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 1760 1802 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1762 1804 1763 1805 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1764 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1806 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1765 1807 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 1766 1808 style='font:7.0pt "Times New Roman"'> … … 1769 1811 1770 1812 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1771 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1813 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1772 1814 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 1773 1815 style='font:7.0pt "Times New Roman"'> … … 1775 1817 data</b> - </p> 1776 1818 1777 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1819 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span 1778 1820 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1779 1821 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1781 1823 1782 1824 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1783 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1825 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1784 1826 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1785 1827 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1787 1829 1788 1830 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1789 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1831 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1790 1832 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1791 1833 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1794 1836 1795 1837 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1796 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1838 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1797 1839 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1798 1840 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1800 1842 1801 1843 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1802 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1844 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1803 1845 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1804 1846 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1806 1848 1807 1849 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1808 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1850 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1809 1851 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1810 1852 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1811 1853 style='mso-bidi-font-weight:normal'>Solve</b> - </p> 1812 1854 1813 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1855 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span 1814 1856 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1815 1857 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1817 1859 1818 1860 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1819 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1861 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1820 1862 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1821 1863 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1823 1865 1824 1866 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1825 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1867 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1826 1868 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1827 1869 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1829 1871 1830 1872 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1831 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1873 auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1832 1874 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1833 1875 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1835 1877 1836 1878 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1837 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1879 auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1838 1880 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1839 1881 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1841 1883 1842 1884 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1843 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1885 auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1844 1886 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1845 1887 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1847 1889 1848 1890 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.5in;mso-add-space: 1849 auto;text-indent:-.25in;mso-list:l 9level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span1891 auto;text-indent:-.25in;mso-list:l7 level3 lfo1;tab-stops:list 1.5in'><![if !supportLists]><span 1850 1892 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 1851 1893 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1853 1895 1854 1896 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1855 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1897 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1856 1898 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1857 1899 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1859 1901 1860 1902 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1861 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1903 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1862 1904 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1863 1905 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 1864 1906 style='mso-bidi-font-weight:normal'>Import HKLs…</b> - </p> 1865 1907 1866 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l 9level1 lfo1'><![if !supportLists]><span1908 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo1'><![if !supportLists]><span 1867 1909 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 1868 1910 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu … … 1870 1912 1871 1913 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1872 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1914 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1873 1915 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 1874 1916 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1876 1918 1877 1919 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1878 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1920 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1879 1921 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 1880 1922 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1882 1924 1883 1925 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1884 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1926 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1885 1927 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 1886 1928 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1888 1930 1889 1931 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1890 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1932 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1891 1933 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 1892 1934 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1894 1936 1895 1937 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 1896 auto;text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1938 auto;text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1897 1939 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 1898 1940 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1900 1942 1901 1943 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 1902 text-indent:-.25in;mso-list:l 9level2 lfo1'><![if !supportLists]><span1944 text-indent:-.25in;mso-list:l7 level2 lfo1'><![if !supportLists]><span 1903 1945 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 1904 1946 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 1966 2008 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 1967 2009 1968 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2010 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 1969 2011 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 1970 2012 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 1978 2020 Hessian’ for routine work.<o:p></o:p></span></p> 1979 2021 1980 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2022 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 1981 2023 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 1982 2024 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 1983 2025 style='mso-fareast-font-family:"Times New Roman"'>Select ‘Min 1984 delta-M/M’ for convergence; the refinement will stop when the change in the1985 minimization function is less than this value. Set Min delta-M/M = 1.0 to force 1986 just a single cycle to be performed. A value less than 10<sup>-4</sup> (the 1987 default) generally gives no better result. The allowed range is 10<sup>-9</sup>2026 delta-M/M’ for convergence; the refinement will stop when the change in 2027 the minimization function is less than this value. Set Min delta-M/M = 1.0 to 2028 force just a single cycle to be performed. A value less than 10<sup>-4</sup> 2029 (the default) generally gives no better result. The allowed range is 10<sup>-9</sup> 1988 2030 to 1.0.<o:p></o:p></span></p> 1989 2031 1990 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2032 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 1991 2033 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 1992 2034 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2000 2042 performance.<o:p></o:p></span></p> 2001 2043 2002 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2044 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 2003 2045 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2004 2046 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2012 2054 cycles.<o:p></o:p></span></p> 2013 2055 2014 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l1 3level1 lfo2'><![if !supportLists]><span2056 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l11 level1 lfo2'><![if !supportLists]><span 2015 2057 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2016 2058 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2043 2085 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2044 2086 2045 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l1 6level1 lfo3'><![if !supportLists]><span2087 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l13 level1 lfo3'><![if !supportLists]><span 2046 2088 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2047 2089 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2050 2092 the ‘Edit menu.<o:p></o:p></span></p> 2051 2093 2052 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l1 6level1 lfo3'><![if !supportLists]><span2094 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l13 level1 lfo3'><![if !supportLists]><span 2053 2095 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2054 2096 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2057 2099 2058 2100 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2059 auto;text-indent:-.25in;mso-list:l1 6level2 lfo3'><![if !supportLists]><span2101 auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span 2060 2102 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2061 2103 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span … … 2075 2117 2076 2118 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2077 auto;text-indent:-.25in;mso-list:l1 6level2 lfo3'><![if !supportLists]><span2119 auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span 2078 2120 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2079 2121 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2094 2136 2095 2137 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2096 auto;text-indent:-.25in;mso-list:l1 6level2 lfo3'><![if !supportLists]><span2138 auto;text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span 2097 2139 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2098 2140 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2112 2154 2113 2155 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2114 text-indent:-.25in;mso-list:l1 6level2 lfo3'><![if !supportLists]><span2156 text-indent:-.25in;mso-list:l13 level2 lfo3'><![if !supportLists]><span 2115 2157 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2116 2158 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2120 2162 the result of the sum can be varied in the refinement. The keyword 2121 2163 ‘FUNCT’ marks it as a function; the ‘Refine?’ box 2122 indicates your choice to refine the result of the sum. A Delete button can be 2123 usedto remove it.<o:p></o:p></span></p>2164 indicates your choice to refine the result of the sum. A Delete button can be used 2165 to remove it.<o:p></o:p></span></p> 2124 2166 2125 2167 <h4><a name=Restraints><span style='mso-fareast-font-family:"Times New Roman"'>Restraints</span></a><span … … 2127 2169 2128 2170 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2171 window is empty<o:p></o:p></span></p> 2172 2173 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2174 2175 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Nothing 2176 just yet<o:p></o:p></span></p> 2177 2178 <h4><a name=Sequential></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Sequential</span></u><span 2179 style='mso-fareast-font-family:"Times New Roman"'> refinement results<o:p></o:p></span></h4> 2180 2181 <p class=MsoNormal>In this window is tabulated the results of your sequential 2182 refinement. The columns are the parameter names; the naming convention is ‘p<span 2183 class=GramE>:h:name:n’</span> where p is the phase number, h is the 2184 histogram number, name is the parameter name, and num (if needed) is the item 2185 number (e.g. atom number). The rows are the data sets used in the sequential refinement.</p> 2186 2187 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2188 2189 <h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></h5> 2190 2191 <h3>Histograms</h3> 2192 2193 <p class=MsoNormal>These are shown in the data tree with a prefix of 2194 ‘PWDR’, ’HKLF’, ‘IMG’, ‘PDF’ or 2195 ‘XXXX’ (future – restraints??) and usually a file name. These 2196 constitute the data sets (‘Histograms’) to be used by GSAS-II for 2197 analysis. Selection of these items does not produce any information in the data 2198 window but does display the data in the Plots Window. They are described below.</p> 2199 2200 <h3>Powder Histograms - PWDR</h3> 2201 2202 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>When 2203 a powder diffraction data set (prefix ‘PWDR’) is selected from the </span><a 2204 href="#Data_tree"><span style='mso-fareast-font-family:"Times New Roman"'>data 2205 tree</span></a><span style='mso-fareast-font-family:"Times New Roman"'>, a 2206 variety of subcategories in the tree are shown. The items that are shown depend 2207 on the data set type. Selecting a subcategory raises the window listed below. <o:p></o:p></span></p> 2208 2209 <h4><a name=Comments></a><a name=""></a><span style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></h4> 2210 2211 <p class=MsoNormal><span style='mso-bookmark:Comments'>This window shows whatever 2212 comment lines (preceded by “#”) found when the powder data file was 2213 read by GSAS-II. If you are lucky, there will be useful information here (e.g. 2214 sample name, date collected, wavelength used, etc.). If not, this window will 2215 be blank. The text is read-only in that anything you try to enter here is not 2216 saved.</span></p> 2217 2218 <span style='mso-bookmark:Comments'></span> 2219 2220 <h4><a name=Limits><u><span style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a><u><span 2221 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4> 2222 2223 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2224 window shows the limits in position to be used in any fitting for this powder 2225 pattern. The ‘original’ values are obtained from the minimum & 2226 maximum values in the powder pattern. You can modify ‘changed’ as 2227 needed.<o:p></o:p></span></p> 2228 2229 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2230 2231 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span 2232 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2233 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2234 style='mso-fareast-font-family:"Times New Roman"'>You can change <span 2235 class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in the 2236 ‘changed’ row as needed. Use the mouse to select the value to be 2237 changed (the background on the box will be blue or have a black border or a 2238 vertical bar will appear in the value), then enter the new value and press 2239 Enter or click the mouse elsewhere in the Background window. This will set the 2240 new value.<o:p></o:p></span></p> 2241 2242 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span 2243 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2244 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2245 style='mso-fareast-font-family:"Times New Roman"'>Modify the values of 2246 ‘changed’; this can be done on the plot by dragging the limit bars 2247 (left – vertical green dashed line, right – vertical red dashed 2248 line) into position. A left or right mouse click on a data point on the plot 2249 will set the associated limit. In either case the appropriate value on the 2250 ‘changed’ row will be updated immediately.<o:p></o:p></span></p> 2251 2252 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l16 level1 lfo4'><![if !supportLists]><span 2253 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2254 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2255 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2256 style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></p> 2257 2258 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2259 text-indent:-.25in;mso-list:l14 level1 lfo5'><![if !supportLists]><span 2260 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2261 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2262 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2263 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2264 limits shown to other selected powder patterns. If used, a dialog box (Copy 2265 Parameters) will appear showing the list of available powder patterns, you can 2266 copy the limits parameters to any or all of them; select ‘All’ to 2267 copy them to all patterns. Then select ‘OK’ to do the copy; 2268 ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2269 2270 <h4><a name=Background><u><span style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></h4> 2271 2272 <span style='mso-bookmark:Background'></span> 2273 2274 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2275 window shows the choice of background functions and coefficients to be used in 2276 fitting this powder pattern. There are three types of contributions available 2277 for the background:<o:p></o:p></span></p> 2278 2279 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>1). 2280 A continuous empirical function (‘<span class=SpellE>chebyschev</span>’, 2281 ‘cosine’, ‘<span class=SpellE><span class=GramE>lin</span></span> 2282 interpolate’, ‘inv interpolate’ & ‘log 2283 interpolate’). The latter three select fixed points with spacing that is <span 2284 class=GramE>either equal</span>, inversely equal or equal on a log scale of the 2285 x-coordinate. The set of magnitudes at each point then comprise the background 2286 variables. All are refined when refine is selected.<o:p></o:p></span></p> 2287 2288 <p class=MsoNormal style='tab-stops:0in'><span style='mso-fareast-font-family: 2289 "Times New Roman"'>2). A set of Debye diffuse scattering equation terms of the 2290 form:<br> 2291 </span><!--[if gte msEquation 12]><m:oMath><i style='mso-bidi-font-style:normal'><span 2292 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span 2293 style='mso-tab-count:2'> </span><m:r>B</m:r><m:r>=</m:r><m:r>A</m:r></span></i><m:d><m:dPr><span 2294 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2295 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2296 normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><m:f><m:fPr><m:type m:val="skw"/><span 2297 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2298 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2299 normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><i style='mso-bidi-font-style: 2300 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2301 "Times New Roman"'><m:r>sinQR</m:r></span></i></m:num><m:den><i 2302 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2303 mso-fareast-font-family:"Times New Roman"'><m:r>QR</m:r></span></i></m:den></m:f></m:e></m:d><m:sSup><m:sSupPr><span 2304 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2305 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2306 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2307 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2308 "Times New Roman"'><m:r>e</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: 2309 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2310 "Times New Roman"'><m:r>-</m:r><m:r>U</m:r></span></i><m:sSup><m:sSupPr><span 2311 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2312 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2313 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2314 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2315 "Times New Roman"'><m:r>Q</m:r></span></i></m:e><m:sup><i 2316 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2317 mso-fareast-font-family:"Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span 2318 style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: 2319 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2320 top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2321 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2322 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'> 2323 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> 2324 </v:shape><![endif]--><![if !vml]><img width=178 height=51 2325 src="gsasII_files/image002.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2326 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-tab-count: 2327 1'> </span><o:p></o:p></span></p> 2328 2329 <p class=MsoNormal><span class=GramE><span style='mso-fareast-font-family:"Times New Roman"'>where</span></span><span 2330 style='mso-fareast-font-family:"Times New Roman"'> A,R & U are the possible 2331 variables and can be individually selected as desired; Q = 2</span><span 2332 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>p</span><span 2333 style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></p> 2334 2335 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>3). 2336 A set of individual Bragg peaks using the pseudo-Voigt profile function as 2337 their shapes. Their parameters are ‘pos’, ’<span 2338 class=SpellE>int</span>’, ‘sig’ & ‘<span 2339 class=SpellE>gam</span>’; each can be selected for refinement. The 2340 default values for sig & <span class=SpellE>gam</span> (=0.10) are for very 2341 sharp peaks, you may adjust them accordingly to the kind of peak you are trying 2342 to fit before trying to refine them.<o:p></o:p></span></p> 2343 2344 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2345 2346 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2347 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2348 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2349 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2350 style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></p> 2351 2352 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2353 auto;text-indent:-.25in;mso-list:l2 level1 lfo7'><![if !supportLists]><span 2354 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2355 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2356 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2357 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2358 background parameters shown to other selected powder patterns. If used, a 2359 dialog box (Copy Parameters) will appear showing the list of available powder 2360 patterns, you can copy the background parameters to any or all of them; select 2361 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2362 do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2363 2364 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2365 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2366 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2367 style='mso-fareast-font-family:"Times New Roman"'>You can select a different 2368 Background function from the pull down tab.<o:p></o:p></span></p> 2369 2370 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2371 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2372 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2373 style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine/not 2374 refine the background coefficients.<o:p></o:p></span></p> 2375 2376 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2377 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2378 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2379 style='mso-fareast-font-family:"Times New Roman"'>You can select the number of 2380 background coefficients to be used (1-36).<o:p></o:p></span></p> 2381 2382 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2383 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2384 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2385 style='mso-fareast-font-family:"Times New Roman"'>You can change individual 2386 background coefficient values. Enter the value then press Enter or click the 2387 mouse elsewhere in the Background window. This will set the new value.<o:p></o:p></span></p> 2388 2389 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2390 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2391 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2392 style='mso-fareast-font-family:"Times New Roman"'>You can introduce one or more 2393 Debye scattering terms into the background. For each one you should enter a 2394 sensible value for ‘R’ – an expected <span class=SpellE>interatomic</span> 2395 distance in an amorphous phase is appropriate. Select parameters to refine; 2396 usually start with the ‘A’ coefficients.<o:p></o:p></span></p> 2397 2398 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l15 level1 lfo6'><![if !supportLists]><span 2399 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>7.<span 2400 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2401 style='mso-fareast-font-family:"Times New Roman"'>You can introduce single 2402 Bragg peaks into the background. For each you should specify at least the 2403 position. Select parameters to refine; usually start with the ‘<span 2404 class=SpellE>int</span>’ coefficients.<o:p></o:p></span></p> 2405 2406 <h4><a name="Instrument_Parameters"><u><span style='mso-fareast-font-family: 2407 "Times New Roman"'>Instrument Parameters</span></u></a><u><span 2408 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></h4> 2409 2410 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2411 window shows the instrument parameters for the selected powder data set. <o:p></o:p></span></p> 2412 2413 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2414 2415 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span 2416 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2417 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2418 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2419 style='mso-bidi-font-weight:normal'>Operations</b>’ – <o:p></o:p></span></p> 2420 2421 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2422 auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span 2423 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2424 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2425 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset 2426 profile </span></b><span style='mso-fareast-font-family:"Times New Roman"'>– 2427 resets the values for the instrument parameters to the default values shown in 2428 parentheses for each entry.<o:p></o:p></span></p> 2429 2430 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2431 auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span 2432 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2433 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2434 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b><span 2435 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2436 instrument parameters shown to other selected powder patterns. If used, a 2437 dialog box (Copy Parameters) will appear showing the list of available powder 2438 patterns, you can copy the instrument parameters to any or all of them; select 2439 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2440 do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></p> 2441 2442 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2443 auto;text-indent:-.25in;mso-list:l12 level1 lfo9'><![if !supportLists]><span 2444 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2445 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2446 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change 2447 radiation</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 2448 – this changes the radiation between single wavelength (e.g. for 2449 synchrotron source) and K</span><sub><span style='font-family:Symbol; 2450 mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span 2451 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub><span 2452 style='mso-fareast-font-family:"Times New Roman"'>/K</span><sub><span 2453 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub><sub><span 2454 style='mso-fareast-font-family:"Times New Roman"'>2</span></sub><span 2455 style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a 2456 laboratory tube source).<o:p></o:p></span></p> 2457 2458 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span 2459 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2460 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2461 style='mso-fareast-font-family:"Times New Roman"'>You can change any of the 2462 profile coefficients<o:p></o:p></span></p> 2463 2464 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo8'><![if !supportLists]><span 2465 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2466 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2467 style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any 2468 profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain 2469 circumstances some choices are ignored e.g. Zero is not refined during peak 2470 fitting. Also some choices may lead to unstable refinement, e.g. <span 2471 class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the 2472 ‘</span><a href="#Covariance"><span style='mso-fareast-font-family:"Times New Roman"'>Covariance’</span></a><span 2473 style='mso-fareast-font-family:"Times New Roman"'> display for highly 2474 correlated parameters.<o:p></o:p></span></p> 2475 2476 <h4><a name="Sample_Parameters"></a><u><span style='mso-fareast-font-family: 2477 "Times New Roman"'>Sample Parameters<o:p></o:p></span></u></h4> 2478 2479 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2129 2480 window... <o:p></o:p></span></p> 2130 2481 2482 <h4><a name="Powder_Peaks"></a><a name="Peak_List"><span style='mso-bookmark: 2483 Powder_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a><span 2484 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 2485 2486 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2487 window shows the list of peaks that will be used by the peak fitting 2488 refinement. It is filled by picking peaks in the powder pattern displayed in 2489 the GSASII Plots window as a sequence of ‘+’ marks. See </span><a 2490 href="#Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder 2491 Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'> 2492 below for details for what can be done on this plot.<o:p></o:p></span></p> 2493 2494 <h4><a name="Index_Peaks"></a><a name="Index_Peak_List"></a><span 2495 style='mso-bookmark:Index_Peaks'><span style='mso-fareast-font-family:"Times New Roman"'>Index 2496 Peak List</span></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 2497 2498 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2499 window shows the list of peaks that will be used for indexing (see </span><a 2500 href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit 2501 Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>). 2502 It must be filled before indexing can proceed. When indexing is completed, this 2503 display will show the resulting <span class=SpellE>hkl</span> values for every 2504 indexed reflection along with the calculated d-spacing (‘d-<span 2505 class=SpellE>calc</span>’) for the selected unit cell in </span><a 2506 href="#Unit_Cells_List"><span style='mso-fareast-font-family:"Times New Roman"'>Unit 2507 Cells List</span></a><span style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></p> 2508 2131 2509 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2510 2511 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l17 level1 lfo10'><![if !supportLists]><span 2512 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2513 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2514 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2515 style='mso-bidi-font-weight:normal'>Operations</b>’ – <b 2516 style='mso-bidi-font-weight:normal'>Load/Reload</b> – loads the peak 2517 positions & intensities from the </span><a href="#Peak_List"><span 2518 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></a><span 2519 style='mso-fareast-font-family:"Times New Roman"'> to make them available for 2520 the indexing routine. The d-<span class=SpellE>obs</span> is obtained from 2521 Bragg’s Law after applying the Zero correction shown on the </span><a 2522 href="#Instrument_Parameters"><span style='mso-fareast-font-family:"Times New Roman"'>Instrument 2523 Parameters</span></a><span style='mso-fareast-font-family:"Times New Roman"'> 2524 table to the position shown here.<o:p></o:p></span></p> 2525 2526 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l17 level1 lfo10'><![if !supportLists]><span 2527 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2528 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2529 style='mso-fareast-font-family:"Times New Roman"'>You may deselect individual 2530 peaks from indexing by <span class=SpellE>unchecking</span> the corresponding ‘use’ 2531 box.<o:p></o:p></span></p> 2532 2533 <h4><a name="Cell_Indexing_Refine"></a><a name="Unit_Cells_List"></a><span 2534 style='mso-bookmark:Cell_Indexing_Refine'><span style='mso-fareast-font-family: 2535 "Times New Roman"'>Unit Cells List</span></span><span style='mso-fareast-font-family: 2536 "Times New Roman"'><o:p></o:p></span></h4> 2537 2538 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2539 window... <o:p></o:p></span></p> 2540 2541 <h4><a name="Reflection_List"><span style='mso-fareast-font-family:"Times New Roman"'>Reflection 2542 List</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 2543 2544 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2545 window... <o:p></o:p></span></p> 2546 2547 <h3>Single Crystal Histograms - HKLF</h3> 2548 2549 <h3><span style='mso-fareast-font-family:"Times New Roman"'>Pair Distribution 2550 Functions - PDF<o:p></o:p></span></h3> 2551 2552 <h4><a name="PDF_Controls"></a><span style='mso-fareast-font-family:"Times New Roman"'>PDF 2553 Controls<o:p></o:p></span></h4> 2554 2555 <p class=MsoNormal>This window </p> 2556 2557 <h4><a name="I_Q"></a><span class=GramE><span style='mso-fareast-font-family: 2558 "Times New Roman"'>I(</span></span><span style='mso-fareast-font-family:"Times New Roman"'>Q), 2559 <a name="S_Q"></a>S(Q), <a name="F_Q"></a>F(Q) & <a name="G_R"></a>G(R)<o:p></o:p></span></h4> 2560 2561 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2562 window... <o:p></o:p></span></p> 2563 2564 <h3><span style='mso-fareast-font-family:"Times New Roman"'>2-D Images – 2565 IMG<o:p></o:p></span></h3> 2566 2567 <h4><a name=Images>Image Controls</a></h4> 2568 2569 <span style='mso-bookmark:Images'></span> 2570 2571 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2572 window... <o:p></o:p></span></p> 2573 2574 <h4><a name="_Image_Masks"></a><a href="#_Image_Masks"><span style='color:#4F81BD; 2575 mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image Ma<span 2576 style='mso-bookmark:Image_Masks'></span>sks</span></a><![if !supportNestedAnchors]><a 2577 name="Image_Masks"></a><![endif]></h4> 2578 2579 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 2580 window... <o:p></o:p></span></p> 2132 2581 2133 2582 <h3>Phase Windows</h3> … … 2147 2596 gives overall parameters describing the phase such as the name, space group, 2148 2597 the unit cell parameters and overall parameters for the atom present in the 2149 phase. <a name=Data>It also has the controls for computing Fourier maps for 2150 this phase.<o:p></o:p></a></span></p> 2151 2152 <h5><span style='mso-bookmark:Data'><span style='mso-fareast-font-family:"Times New Roman"'>What 2153 can I do here?<o:p></o:p></span></span></h5> 2154 2155 <h4><span style='mso-bookmark:Data'><u><span style='mso-fareast-font-family: 2156 "Times New Roman"'>Data<o:p></o:p></span></u></span></h4> 2157 2158 <span style='mso-bookmark:Data'></span> 2159 2160 <h5><a name=Texture></a><a name=Atoms><span style='mso-bookmark:Texture'><span 2161 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></a></h5> 2162 2163 <h4><span style='mso-bookmark:Atoms'><span style='mso-bookmark:Texture'><u>Atom</u> 2164 Parameter<u>s</u></span></span></h4> 2165 2166 <span style='mso-bookmark:Atoms'></span> 2167 2168 <h5><span style='mso-bookmark:Texture'><a name="Draw_Options"><span 2169 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2170 2171 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><u>Texture</u> 2172 Parameters</span></span></h4> 2173 2174 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><span 2175 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></span></h5> 2176 2177 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Options'><u>Draw 2178 Options</u></span></span></h4> 2179 2180 <span style='mso-bookmark:Draw_Options'></span> 2181 2182 <h5><span style='mso-bookmark:Texture'><a name="Draw_Atoms"><span 2183 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2184 2185 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><u>Draw 2186 Atoms<o:p></o:p></u></span></span></h4> 2187 2188 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2189 Draw_Atoms'>This gives a list of the atoms and bonds that are to be rendered as 2190 lines, van <span class=SpellE>der</span> Waals radii balls, sticks, balls & 2191 sticks, ellipsoids & sticks or <span class=SpellE>polyhedra</span>. There 2192 are two menus for this tab; Edit allows modification of the list of atoms to be 2193 rendered and Compute gives some options for geometric characterization of 2194 selected atoms.</span></span></p> 2195 2196 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><span 2197 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></span></span></h5> 2198 2199 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2200 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2598 phase. It also has the controls for computing Fourier maps for this phase.<o:p></o:p></span></p> 2599 2600 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2601 2602 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span 2603 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2604 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2605 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2606 style='mso-bidi-font-weight:normal'>Compute’</b> – The compute menu 2607 shows computations that are possible for this phase.<o:p></o:p></span></p> 2608 2609 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2610 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2611 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2612 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2613 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Fourier 2614 maps</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – 2615 compute Fourier maps according to the controls set at bottom of General page.<o:p></o:p></span></p> 2616 2617 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span 2618 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2619 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2620 style='mso-fareast-font-family:"Times New Roman"'>The items in the upper part 2621 of the General page that can be changed are Phase name, Phase type, Space 2622 group, unit cell parameters & refine flag. These are described in turn:<u><o:p></o:p></u></span></p> 2623 2624 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2625 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2626 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2627 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2628 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase 2629 name</span></b><span style='mso-fareast-font-family:"Times New Roman"'> – 2630 this is the name assigned to this phase. It should only be changed when the 2631 phase is initialized or imported.<u><o:p></o:p></u></span></p> 2632 2633 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2634 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2635 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2636 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2637 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Phase 2638 type – </span></b><span style='mso-fareast-font-family:"Times New Roman"'>this 2639 can only be set when there are no atoms in the Atoms page for this phase. 2640 Select it when the phase is initialized.<u><o:p></o:p></u></span></p> 2641 2642 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2643 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2644 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2645 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2646 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Space 2647 group</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 2648 – this should be set when the phase is initialized; it can be changed 2649 later. Be careful about the impact on Atom site symmetry and multiplicity if 2650 you do. GSAS-II will recognize any legal space group symbol using the short 2651 Hermann-<span class=SpellE>Mauguin</span> forms; put a space between the axial 2652 fields (e.g. ‘F d 3 m’ not ‘Fd3m’). For space groups 2653 with a choice of origin (e.g. F d 3 m), GSAS-II always uses the 2<sup>nd</sup> 2654 setting where the center of inversion is located at the origin. The choice of 2655 space group will set the available unit cell parameters.<u><o:p></o:p></u></span></p> 2656 2657 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2658 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2659 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2660 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2661 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Refine 2662 unit cell</span></b><span style='mso-fareast-font-family:"Times New Roman"'> 2663 – set this flag to refine the unit cell parameters in a Rietveld or 2664 Pawley refinement. The actual parameters refined are the symmetry allowed terms 2665 (A<sub>0</sub>-A<sub>5</sub>) in the expression</span><i style='mso-bidi-font-style: 2666 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2667 "Times New Roman"'><br> 2668 </span></i><!--[if gte msEquation 12]><m:oMathPara><m:oMath><m:sSup><m:sSupPr><span 2669 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2670 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2671 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2672 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2673 "Times New Roman"'><m:r>d</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: 2674 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2675 "Times New Roman"'><m:r>*2</m:r></span></i></m:sup></m:sSup><i 2676 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2677 mso-fareast-font-family:"Times New Roman"'><m:r>=</m:r></span></i><m:sSub><m:sSubPr><span 2678 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2679 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2680 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2681 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2682 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2683 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2684 "Times New Roman"'><m:r>0</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span 2685 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2686 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2687 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2688 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2689 "Times New Roman"'><m:r>h</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: 2690 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2691 "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i 2692 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2693 mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span 2694 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2695 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2696 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2697 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2698 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2699 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2700 "Times New Roman"'><m:r>1</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span 2701 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2702 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2703 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2704 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2705 "Times New Roman"'><m:r>k</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: 2706 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2707 "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i 2708 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2709 mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span 2710 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2711 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2712 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2713 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2714 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2715 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2716 "Times New Roman"'><m:r>2</m:r></span></i></m:sub></m:sSub><m:sSup><m:sSupPr><span 2717 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2718 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2719 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><i style='mso-bidi-font-style: 2720 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2721 "Times New Roman"'><m:r>l</m:r></span></i></m:e><m:sup><i style='mso-bidi-font-style: 2722 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2723 "Times New Roman"'><m:r>2</m:r></span></i></m:sup></m:sSup><i 2724 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2725 mso-fareast-font-family:"Times New Roman"'><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span 2726 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2727 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2728 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2729 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2730 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2731 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2732 "Times New Roman"'><m:r>3</m:r></span></i></m:sub></m:sSub><i 2733 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2734 mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>k</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span 2735 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2736 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2737 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2738 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2739 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2740 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2741 "Times New Roman"'><m:r>4</m:r></span></i></m:sub></m:sSub><i 2742 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2743 mso-fareast-font-family:"Times New Roman"'><m:r>h</m:r><m:r>l</m:r><m:r>+</m:r></span></i><m:sSub><m:sSubPr><span 2744 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2745 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2746 normal'><m:ctrlPr></m:ctrlPr></span></m:sSubPr><m:e><i style='mso-bidi-font-style: 2747 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2748 "Times New Roman"'><m:r>A</m:r></span></i></m:e><m:sub><i style='mso-bidi-font-style: 2749 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2750 "Times New Roman"'><m:r>5</m:r></span></i></m:sub></m:sSub><i 2751 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2752 mso-fareast-font-family:"Times New Roman"'><m:r>kl</m:r></span></i></m:oMath></m:oMathPara><![endif]--><![if !msEquation]><span 2753 style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: 2754 "Times New Roman";mso-fareast-theme-font:minor-fareast;mso-ansi-language:EN-US; 2755 mso-fareast-language:EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape 2756 id="_x0000_i1025" type="#_x0000_t75" style='width:251.25pt;height:14.25pt'> 2757 <v:imagedata src="gsasII_files/image003.png" o:title="" chromakey="white"/> 2758 </v:shape><![endif]--><![if !vml]><img width=335 height=19 2759 src="gsasII_files/image004.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><u><span 2760 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></p> 2761 2762 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2763 auto;text-indent:-.25in;mso-list:l0 level2 lfo11'><![if !supportLists]><span 2764 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2765 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2766 class=GramE><b style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family: 2767 "Times New Roman"'>a</span></b></span><b style='mso-bidi-font-weight:normal'><span 2768 style='mso-fareast-font-family:"Times New Roman"'>, b, c, alpha, beta, gamma</span></b><span 2769 style='mso-fareast-font-family:"Times New Roman"'> – lattice parameters; 2770 only those permitted by the space group are shown. The volume is computed from 2771 the values entered.<u><o:p></o:p></u></span></p> 2772 2773 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span 2774 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2775 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2776 style='mso-fareast-font-family:"Times New Roman"'>If there are entries in the 2777 Atoms page then the Elements table is shown next on the General page; you may select 2778 the isotope (only relevant for neutron diffraction experiments). The density is 2779 computed depending on this choice, the unit cell volume and the atom 2780 fractions/site multiplicities in the entries on the Atoms page.<u><o:p></o:p></u></span></p> 2781 2782 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l0 level1 lfo11'><![if !supportLists]><span 2783 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2784 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2785 style='mso-fareast-font-family:"Times New Roman"'>Fourier map controls are 2786 shown at the bottom of the General page. A completed Rietveld or Pawley 2787 refinement is required before a Fourier map can be computed. Select the desired 2788 type of map, the source of the reflection set and the map resolution desired.<u><o:p></o:p></u></span></p> 2789 2790 <h4><a name=Data></a><u><span style='mso-fareast-font-family:"Times New Roman"'>Data 2791 </span></u><span style='mso-fareast-font-family:"Times New Roman"'>sets<u><o:p></o:p></u></span></h4> 2792 2793 <p class=MsoNormal><o:p> </o:p></p> 2794 2795 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?</span><i 2796 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2797 mso-fareast-font-family:"Times New Roman"'><br style='mso-special-character: 2798 line-break'> 2799 <![if !supportLineBreakNewLine]><br style='mso-special-character:line-break'> 2800 <![endif]></span></i><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h5> 2801 2802 <h5><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></h5> 2803 2804 <h4><a name=Atoms></a><u>Atom</u> Parameter<u>s</u></h4> 2805 2806 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2807 2808 <h4><a name=Texture></a><u>Texture</u> Parameters</h4> 2809 2810 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2811 2812 <h4><a name="Draw_Options"></a><u>Draw Options</u></h4> 2813 2814 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2815 2816 <h4><a name="Draw_Atoms"></a><u>Draw Atoms<o:p></o:p></u></h4> 2817 2818 <p class=MsoNormal>This gives a list of the atoms and bonds that are to be 2819 rendered as lines, van <span class=SpellE>der</span> Waals radii balls, sticks, 2820 balls & sticks, ellipsoids & sticks or <span class=SpellE>polyhedra</span>. 2821 There are two menus for this tab; Edit allows modification of the list of atoms 2822 to be rendered and Compute gives some options for geometric characterization of 2823 selected atoms.</p> 2824 2825 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 2826 2827 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2201 2828 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2202 2829 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2207 2834 shown in green on the plot. Selection without the Ctrl key will clear previous 2208 2835 selections. A double left click in the (empty) upper left box will select or 2209 deselect all atoms.</span></span></p> 2210 2211 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2212 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2836 deselect all atoms.</p> 2837 2838 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2213 2839 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2214 2840 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Atom … … 2221 2847 normal'>NB</b>: beware of atoms that are hiding behind the one you are trying 2222 2848 to select, they may be selected inadvertently. You can rotate the structure 2223 anytime during the selection process.</span></span></p> 2224 2225 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2226 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2849 anytime during the selection process.</p> 2850 2851 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2227 2852 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2228 2853 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 2230 2855 allows you to select all atoms with that characteristic. For example, selecting 2231 2856 the Type column will show all the atom types; your choice will then cause all 2232 those atoms to be selected.</span></span></p> 2233 2234 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2235 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2857 those atoms to be selected.</p> 2858 2859 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2236 2860 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>4.<span 2237 2861 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Double … … 2243 2867 style='mso-bidi-font-weight:normal'>NB</b>: selecting Color will make all atoms 2244 2868 have the same color and for Style “blank” means the atoms 2245 aren’t rendered and thus the plot will not show any atoms or bonds!</span></span></p> 2246 2247 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2248 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2869 aren’t rendered and thus the plot will not show any atoms or bonds!</p> 2870 2871 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2249 2872 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>5.<span 2250 2873 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 2251 2874 ‘<b style='mso-bidi-font-weight:normal'>Edit’ - </b>The edit menu 2252 2875 shows operations that can be performed on your selected atoms. You must select 2253 one or more atoms before using any of the menu items.</span></span></p> 2254 2255 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2256 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2257 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2876 one or more atoms before using any of the menu items.</p> 2877 2878 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2879 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2258 2880 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2259 2881 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2260 2882 style='mso-bidi-font-weight:normal'>Atom style</b> – select the rendering 2261 style for the selected atoms</span></span></p> 2262 2263 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2264 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2265 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2883 style for the selected atoms</p> 2884 2885 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2886 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2266 2887 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2267 2888 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2268 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to be 2269 shown as a label for each atom in selection. The choices are: none, type, name 2270 or number.</span></span></p> 2271 2272 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2273 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2274 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2889 style='mso-bidi-font-weight:normal'>Atom label</b> – select the item to 2890 be shown as a label for each atom in selection. The choices are: none, type, 2891 name or number.</p> 2892 2893 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2894 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2275 2895 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2276 2896 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2279 2899 spectrum. Choose a color by any of the means available, press the “Add to 2280 2900 Custom Colors”, select that color in the Custom colors display and then 2281 press OK.</span></span></p> 2282 2283 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2284 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2285 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2901 press OK.</p> 2902 2903 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2904 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2286 2905 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>d.<span 2287 2906 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2288 2907 style='mso-bidi-font-weight:normal'>Reset atom colors</b> – return the 2289 atom color back to their defaults for the selected atoms.</span></span></p> 2290 2291 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2292 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2293 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2908 atom color back to their defaults for the selected atoms.</p> 2909 2910 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2911 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2294 2912 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>e.<span 2295 2913 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2296 2914 style='mso-bidi-font-weight:normal'>View point</b> – position the plot 2297 view point to the first atom in the selection.</span></span></p> 2298 2299 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2300 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2301 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2915 view point to the first atom in the selection.</p> 2916 2917 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2918 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2302 2919 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>f.<span 2303 2920 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2306 2923 of symmetry operator and unit cell translation selected via a dialog display. 2307 2924 Duplicate atom positions are not retained. Any anisotropic thermal displacement 2308 parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</span></span></p> 2309 2310 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2311 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2312 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2925 parameters (<span class=SpellE>Uij</span>) will be transformed as appropriate.</p> 2926 2927 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2928 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2313 2929 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>g.<span 2314 2930 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2315 2931 style='mso-bidi-font-weight:normal'>Transform atoms</b> – apply a 2316 symmetry operator and unit cell translation to the set of selected atoms; they will 2317 be changed in place. Any anisotropic thermal displacement parameters (<span 2318 class=SpellE>Uij</span>) will be transformed as appropriate.</span></span></p> 2319 2320 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2321 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2322 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2932 symmetry operator and unit cell translation to the set of selected atoms; they 2933 will be changed in place. Any anisotropic thermal displacement parameters (<span 2934 class=SpellE>Uij</span>) will be transformed as appropriate.</p> 2935 2936 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2937 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2323 2938 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>h.<span 2324 2939 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2326 2941 currently in the draw atom table, find all atoms that belong in the 2327 2942 coordination sphere around the selected atoms via unit cell translations. NB: 2328 symmetry operations are not used in this search.</span></span></p> 2329 2330 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2331 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2332 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2943 symmetry operations are not used in this search.</p> 2944 2945 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2946 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2333 2947 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>i.<span 2334 2948 style='font:7.0pt "Times New Roman"'> … … 2336 2950 cell</b> - using the atoms currently selected from the draw atom table, find 2337 2951 all atoms that fall inside or on the edge/surface/corners of the unit cell. 2338 This operation is frequently performed before Fill CN-sphere.</span></span></p> 2339 2340 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2341 auto;text-indent:-.25in;mso-list:l12 level1 lfo6'><span style='mso-bookmark: 2342 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2952 This operation is frequently performed before Fill CN-sphere.</p> 2953 2954 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2955 auto;text-indent:-.25in;mso-list:l10 level1 lfo13'><![if !supportLists]><span 2343 2956 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>j.<span 2344 2957 style='font:7.0pt "Times New Roman"'> … … 2346 2959 atoms</b> – clear the entire draw atom table; it is then refilled from 2347 2960 the Atoms table. You should do this operation after any changes in the Atoms 2348 table, e.g. by a structure refinement.</span></span></p> 2349 2350 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l8 level1 lfo5'><span 2351 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2961 table, e.g. by a structure refinement.</p> 2962 2963 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l6 level1 lfo12'><![if !supportLists]><span 2352 2964 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>6.<span 2353 2965 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 2354 2966 ‘<b style='mso-bidi-font-weight:normal'>Compute’</b> - The compute 2355 2967 menu gives a choice of geometric calculations to be performed with the selected 2356 atoms. You must select the appropriate number of atoms for these to work and the 2357 computation is done for the atoms in selection order.</span></span></p> 2358 2359 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2360 auto;text-indent:-.25in;mso-list:l11 level1 lfo7'><span style='mso-bookmark: 2361 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2968 atoms. You must select the appropriate number of atoms for these to work and 2969 the computation is done for the atoms in selection order.</p> 2970 2971 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2972 auto;text-indent:-.25in;mso-list:l9 level1 lfo14'><![if !supportLists]><span 2362 2973 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2363 2974 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2364 2975 style='mso-bidi-font-weight:normal'>Dist. Ang.</b> <span class=SpellE><b 2365 2976 style='mso-bidi-font-weight:normal'>Tors</b></span><b style='mso-bidi-font-weight: 2366 normal'>. </b>– <span class=GramE>when</span> 2-4 atoms are selected, a distance, 2367 angle or torsion angle will be found for them. The angles are computed for the 2368 atoms in their selection order. The torsion angle is a right hand angle about 2369 the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An estimated standard 2370 deviation is given for the calculated value if a current variance-covariance 2371 matrix is available. The result is shown on the console window; it may be cut 2372 & pasted to another application (e.g. Microsoft Word).</span></span></p> 2977 normal'>. </b>– <span class=GramE>when</span> 2-4 atoms are selected, a 2978 distance, angle or torsion angle will be found for them. The angles are 2979 computed for the atoms in their selection order. The torsion angle is a right 2980 hand angle about the A2-A3 vector for the sequence of atoms A1-A2-A3-A4. An 2981 estimated standard deviation is given for the calculated value if a current 2982 variance-covariance matrix is available. The result is shown on the console 2983 window; it may be cut & pasted to another application (e.g. Microsoft 2984 Word).</p> 2373 2985 2374 2986 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2375 text-indent:-.25in;mso-list:l11 level1 lfo7'><span style='mso-bookmark:Texture'><span 2376 style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span style='mso-fareast-font-family: 2377 "Times New Roman"'><span style='mso-list:Ignore'>b.<span style='font:7.0pt "Times New Roman"'> 2378 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'>Best 2379 plane</b> – when 4 or more atoms are selected, a best plane is determined 2380 for them. The result is shown on the console window; it may be cut & pasted 2381 to another application (e.g. Microsoft Word). Shown are the atom coordinates 2382 transformed to Cartesian best plane coordinates where the largest range is over 2383 the X-axis and the smallest is over the Z-axis with the origin at the <span 2384 class=SpellE>unweighted</span> center of the selection. Root mean square 2385 displacements along each axis for the best plane are also listed. The Z-axis 2386 RMS value indicates the flatness of the proposed plane. <b style='mso-bidi-font-weight: 2387 normal'>NB</b>: if you select (e.g. all) atoms then Best plane will give 2388 Cartesian coordinates for these atoms with respect to a coordinate system where 2389 the X-axis is along the longest axis of the atom grouping and the Z-axis is 2390 along the shortest distance. The origin is at the <span class=SpellE>unweighted</span> 2391 center of the selected atoms.</span></span></p> 2392 2393 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><a 2394 name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></span></span></h4> 2395 2396 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2397 Draw_Atoms'>This gives the list of reflections used in a Pawley refinement and 2398 can only be seen if the phase type is ‘Pawley’ (see<span 2399 style='color:#00B0F0'> </span></span></span><a href="#General"><span 2400 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>General</span></span><span 2401 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'></span></span></a><span 2402 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>)<span 2403 style='color:#00B0F0'>.</span></span></span></p> 2404 2405 <h5><span style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'>What 2406 can I do here?</span></span></h5> 2407 2408 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2409 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 2987 text-indent:-.25in;mso-list:l9 level1 lfo14'><![if !supportLists]><span 2988 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2989 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2990 style='mso-bidi-font-weight:normal'>Best plane</b> – when 4 or more atoms 2991 are selected, a best plane is determined for them. The result is shown on the 2992 console window; it may be cut & pasted to another application (e.g. 2993 Microsoft Word). Shown are the atom coordinates transformed to Cartesian best 2994 plane coordinates where the largest range is over the X-axis and the smallest 2995 is over the Z-axis with the origin at the <span class=SpellE>unweighted</span> 2996 center of the selection. Root mean square displacements along each axis for the 2997 best plane are also listed. The Z-axis RMS value indicates the flatness of the 2998 proposed plane. <b style='mso-bidi-font-weight:normal'>NB</b>: if you select 2999 (e.g. all) atoms then Best plane will give Cartesian coordinates for these 3000 atoms with respect to a coordinate system where the X-axis is along the longest 3001 axis of the atom grouping and the Z-axis is along the shortest distance. The 3002 origin is at the <span class=SpellE>unweighted</span> center of the selected 3003 atoms.</p> 3004 3005 <h4><a name=Pawley><u>Pawley </u></a><u>reflections<o:p></o:p></u></h4> 3006 3007 <p class=MsoNormal>This gives the list of reflections used in a Pawley 3008 refinement and can only be seen if the phase type is ‘Pawley’ (see<span 3009 style='color:#00B0F0'> </span><a href="#General">General</a>)<span 3010 style='color:#00B0F0'>.</span></p> 3011 3012 <h5>What can I do here?</h5> 3013 3014 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span 2410 3015 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2411 3016 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Menu 2412 <b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</span></span></p> 2413 2414 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2415 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2416 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 3017 <b style='mso-bidi-font-weight:normal'>‘Operations’</b> –</p> 3018 3019 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3020 auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span 2417 3021 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2418 3022 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2420 3024 new set of Pawley reflections, over writing any preexisting Pawley set. They 2421 3025 are generated with d-<span class=SpellE>spacings</span> larger than the limit 2422 set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab 2423 for this phase. By default the refine flags are not set and the <span 2424 class=SpellE><span class=GramE>Fsq</span></span><span class=GramE>(</span><span 2425 class=SpellE>hkl</span>) = 100.0.</span></span></p> 2426 2427 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2428 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2429 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 3026 set as ‘Pawley <span class=SpellE>dmin</span>’ in the General tab for 3027 this phase. By default the refine flags are not set and the <span class=SpellE><span 3028 class=GramE>Fsq</span></span><span class=GramE>(</span><span class=SpellE>hkl</span>) 3029 = 100.0.</p> 3030 3031 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3032 auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span 2430 3033 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2431 3034 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b … … 2434 3037 class=GramE>(</span><span class=SpellE>hkl</span>) from the peak heights of the 2435 3038 reflection as seen in the 1<sup>st</sup> powder pattern of those selected in 2436 the </span></span><a href="#Data"><span style='mso-bookmark:Texture'><span 2437 style='mso-bookmark:Draw_Atoms'>Data</span></span><span style='mso-bookmark: 2438 Texture'><span style='mso-bookmark:Draw_Atoms'></span></span></a><span 2439 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'> tab.</span></span></p> 2440 2441 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2442 auto;text-indent:-.25in;mso-list:l10 level2 lfo19'><span style='mso-bookmark: 2443 Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 3039 the <a href="#Data">Data</a> tab.</p> 3040 3041 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 3042 auto;text-indent:-.25in;mso-list:l8 level2 lfo16'><![if !supportLists]><span 2444 3043 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2445 3044 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2446 3045 style='mso-bidi-font-weight:normal'>Pawley delete </b>– this clears the 2447 set of Pawley reflections.</span></span></p> 2448 2449 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2450 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 3046 set of Pawley reflections.</p> 3047 3048 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span 2451 3049 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2452 3050 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 2456 3054 You should deselect those reflections that fall below the lower limit or above 2457 3055 the upper limit of the powder pattern otherwise you may have a singular matrix 2458 error in your Pawley refinement.</span></span></p> 2459 2460 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l5 level1 lfo20'><span 2461 style='mso-bookmark:Texture'><span style='mso-bookmark:Draw_Atoms'><![if !supportLists]><span 3056 error in your Pawley refinement.</p> 3057 3058 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l3 level1 lfo15'><![if !supportLists]><span 2462 3059 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2463 3060 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>You … … 2465 3062 class=GramE>(</span><span class=SpellE>hkl</span>) values by selecting it, 2466 3063 typing in the new value and then pressing enter or selecting somewhere else in 2467 the table.</span></span></p> 2468 2469 <span style='mso-bookmark:Draw_Atoms'></span> 2470 2471 <h3><span style='mso-bookmark:Texture'>Histograms</span></h3> 2472 2473 <p class=MsoNormal><span style='mso-bookmark:Texture'>These are shown in the 2474 data tree with a prefix of ‘PWDR’, ’HKLF’, ‘IMG’, 2475 ‘PDF’ or ‘XXXX’ (future – restraints??) and usually 2476 a file name. These constitute the data sets (‘Histograms’) to be 2477 used by GSAS-II for analysis. Selection of these items does not produce any 2478 information in the data window but does display the data in the Plots Window. 2479 They are described below.</span></p> 2480 2481 <h3><span style='mso-bookmark:Texture'>Powder Histograms - PWDR</span></h3> 2482 2483 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2484 "Times New Roman"'>When a powder diffraction data set (prefix ‘PWDR’) 2485 is selected from the </span></span><a href="#Data_tree"><span style='mso-bookmark: 2486 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>data tree</span></span><span 2487 style='mso-bookmark:Texture'></span></a><span style='mso-bookmark:Texture'><span 2488 style='mso-fareast-font-family:"Times New Roman"'>, a variety of subcategories 2489 in the tree are shown. The items that are shown depend on the data set type. 2490 Selecting a subcategory raises the window listed below. <o:p></o:p></span></span></p> 2491 2492 <h4><span style='mso-bookmark:Texture'><a name=Comments></a><a name=""></a><span 2493 style='mso-bookmark:Comments'><u>Comments<o:p></o:p></u></span></span></h4> 2494 2495 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-bookmark: 2496 Comments'>This window shows whatever comment lines (preceded by “#”) 2497 found when the powder data file was read by GSAS-II. If you are lucky, there 2498 will be useful information here (e.g. sample name, date collected, wavelength 2499 used, etc.). If not, this window will be blank. The text is read-only in that 2500 anything you try to enter here is not saved.</span></span></p> 2501 2502 <span style='mso-bookmark:Comments'></span> 2503 2504 <h4><span style='mso-bookmark:Texture'><a name=Limits><u><span 2505 style='mso-fareast-font-family:"Times New Roman"'>Limits</span></u></a></span><span 2506 style='mso-bookmark:Texture'><u><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></span></h4> 2507 2508 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2509 "Times New Roman"'>This window shows the limits in position to be used in any 2510 fitting for this powder pattern. The ‘original’ values are obtained 2511 from the minimum & maximum values in the powder pattern. You can modify 2512 ‘changed’ as needed.<o:p></o:p></span></span></p> 2513 2514 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2515 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2516 2517 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2518 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2519 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2520 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2521 can change <span class=SpellE>Tmin</span> and <span class=SpellE>Tmax</span> in 2522 the ‘changed’ row as needed. Use the mouse to select the value to 2523 be changed (the background on the box will be blue or have a black border or a 2524 vertical bar will appear in the value), then enter the new value and press 2525 Enter or click the mouse elsewhere in the Background window. This will set the 2526 new value.<o:p></o:p></span></span></p> 2527 2528 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2529 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2530 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 2531 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Modify 2532 the values of ‘changed’; this can be done on the plot by dragging 2533 the limit bars (left – vertical green dashed line, right – vertical 2534 red dashed line) into position. A left or right mouse click on a data point on 2535 the plot will set the associated limit. In either case the appropriate value on 2536 the ‘changed’ row will be updated immediately.<o:p></o:p></span></span></p> 2537 2538 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l19 level1 lfo8'><span 2539 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2540 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> 2541 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2542 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></span></p> 2543 2544 <p class=MsoListParagraphCxSpLast style='margin-left:1.0in;mso-add-space:auto; 2545 text-indent:-.25in;mso-list:l17 level1 lfo9'><span style='mso-bookmark:Texture'><![if !supportLists]><span 2546 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2547 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2548 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span 2549 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2550 – this copies the limits shown to other selected powder patterns. If 2551 used, a dialog box (Copy Parameters) will appear showing the list of available 2552 powder patterns, you can copy the limits parameters to any or all of them; 2553 select ‘All’ to copy them to all patterns. Then select 2554 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></p> 2555 2556 <h4><span style='mso-bookmark:Texture'><a name=Background><u><span 2557 style='mso-fareast-font-family:"Times New Roman"'>Background<o:p></o:p></span></u></a></span></h4> 2558 2559 <span style='mso-bookmark:Background'></span> 2560 2561 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2562 "Times New Roman"'>This window shows the choice of background functions and 2563 coefficients to be used in fitting this powder pattern. There are three types 2564 of contributions available for the background:<o:p></o:p></span></span></p> 2565 2566 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2567 "Times New Roman"'>1). A continuous empirical function (‘<span 2568 class=SpellE>chebyschev</span>’, ‘cosine’, ‘<span 2569 class=SpellE><span class=GramE>lin</span></span> interpolate’, ‘inv 2570 interpolate’ & ‘log interpolate’). The latter three select 2571 fixed points with spacing that is <span class=GramE>either equal</span>, 2572 inversely equal or equal on a log scale of the x-coordinate. The set of magnitudes 2573 at each point then comprise the background variables. All are refined when refine 2574 is selected.<o:p></o:p></span></span></p> 2575 2576 <p class=MsoNormal style='tab-stops:0in'><span style='mso-bookmark:Texture'><span 2577 style='mso-fareast-font-family:"Times New Roman"'>2). A set of Debye diffuse scattering 2578 equation terms of the form:<br> 2579 </span></span><span style='mso-bookmark:Texture'></span><!--[if gte msEquation 12]><m:oMath><span 2580 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2581 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'><span 2582 style='mso-tab-count:2'> </span></span></i></m:r><m:r><i style='mso-bidi-font-style: 2583 normal'><span style='font-family:"Cambria Math","serif";mso-fareast-font-family: 2584 "Times New Roman"'>B</span></i></m:r><m:r><i style='mso-bidi-font-style:normal'><span 2585 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>=</span></i></m:r><m:r><i 2586 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2587 mso-fareast-font-family:"Times New Roman"'>A</span></i></m:r></span><m:d><m:dPr><span 2588 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2589 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2590 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:dPr><m:e><span 2591 style='mso-bookmark:Texture'></span><m:f><m:fPr><m:type m:val="skw"/><span 2592 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2593 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2594 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:fPr><m:num><span 2595 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2596 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>sinQR</span></i></m:r></span></m:num><m:den><span 2597 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2598 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>QR</span></i></m:r></span></m:den></m:f><span 2599 style='mso-bookmark:Texture'></span></m:e></m:d><span style='mso-bookmark: 2600 Texture'></span><m:sSup><m:sSupPr><span style='font-family:"Cambria Math","serif"; 2601 mso-ascii-font-family:"Cambria Math";mso-fareast-font-family:"Times New Roman"; 2602 mso-hansi-font-family:"Cambria Math";font-style:italic;mso-bidi-font-style: 2603 normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><span style='mso-bookmark: 2604 Texture'><m:r><i style='mso-bidi-font-style:normal'><span style='font-family: 2605 "Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>e</span></i></m:r></span></m:e><m:sup><span 2606 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2607 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>-</span></i></m:r><m:r><i 2608 style='mso-bidi-font-style:normal'><span style='font-family:"Cambria Math","serif"; 2609 mso-fareast-font-family:"Times New Roman"'>U</span></i></m:r></span><m:sSup><m:sSupPr><span 2610 style='font-family:"Cambria Math","serif";mso-ascii-font-family:"Cambria Math"; 2611 mso-fareast-font-family:"Times New Roman";mso-hansi-font-family:"Cambria Math"; 2612 font-style:italic;mso-bidi-font-style:normal'><m:ctrlPr></m:ctrlPr></span></m:sSupPr><m:e><span 2613 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2614 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>Q</span></i></m:r></span></m:e><m:sup><span 2615 style='mso-bookmark:Texture'><m:r><i style='mso-bidi-font-style:normal'><span 2616 style='font-family:"Cambria Math","serif";mso-fareast-font-family:"Times New Roman"'>2</span></i></m:r></span></m:sup></m:sSup><span 2617 style='mso-bookmark:Texture'></span></m:sup></m:sSup></m:oMath><![endif]--><![if !msEquation]><span 2618 style='font-size:12.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family: 2619 "Times New Roman";mso-fareast-theme-font:minor-fareast;position:relative; 2620 top:16.0pt;mso-text-raise:-16.0pt;mso-ansi-language:EN-US;mso-fareast-language: 2621 EN-US;mso-bidi-language:AR-SA'><!--[if gte vml 1]><v:shape id="_x0000_i1025" 2622 type="#_x0000_t75" style='width:133.5pt;height:38.25pt'> 2623 <v:imagedata src="gsasII_files/image001.png" o:title="" chromakey="white"/> 2624 </v:shape><![endif]--><![if !vml]><img width=178 height=51 2625 src="gsasII_files/image003.gif" v:shapes="_x0000_i1025"><![endif]></span><![endif]><span 2626 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><span 2627 style='mso-tab-count:1'> </span><o:p></o:p></span></span></p> 2628 2629 <p class=MsoNormal><span style='mso-bookmark:Texture'><span class=GramE><span 2630 style='mso-fareast-font-family:"Times New Roman"'>where</span></span></span><span 2631 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2632 A,R & U are the possible variables and can be individually selected as desired; 2633 Q = 2</span></span><span style='mso-bookmark:Texture'><span style='font-family: 2634 Symbol;mso-fareast-font-family:"Times New Roman"'>p</span></span><span 2635 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>/d.<o:p></o:p></span></span></p> 2636 2637 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2638 "Times New Roman"'>3). A set of individual Bragg peaks using the pseudo-Voigt 2639 profile function as their shapes. Their parameters are ‘pos’, ’<span 2640 class=SpellE>int</span>’, ‘sig’ & ‘<span 2641 class=SpellE>gam</span>’; each can be selected for refinement. The 2642 default values for sig & <span class=SpellE>gam</span> (=0.10) are for very 2643 sharp peaks, you may adjust them accordingly to the kind of peak you are trying 2644 to fit before trying to refine them.<o:p></o:p></span></span></p> 2645 2646 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2647 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2648 2649 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2650 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2651 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 2652 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2653 ‘<b style='mso-bidi-font-weight:normal'>File</b>’ – <o:p></o:p></span></span></p> 2654 2655 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2656 auto;text-indent:-.25in;mso-list:l2 level1 lfo18'><span style='mso-bookmark: 2657 Texture'><![if !supportLists]><span style='mso-fareast-font-family:"Times New Roman"'><span 2658 style='mso-list:Ignore'>a.<span style='font:7.0pt "Times New Roman"'> 2659 </span></span></span><![endif]><b style='mso-bidi-font-weight:normal'><span 2660 style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span><span 2661 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2662 – this copies the background parameters shown to other selected powder patterns. 2663 If used, a dialog box (Copy Parameters) will appear showing the list of 2664 available powder patterns, you can copy the background parameters to any or all 2665 of them; select ‘All’ to copy them to all patterns. Then select 2666 ‘OK’ to do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></p> 2667 2668 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2669 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2670 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 2671 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2672 can select a different Background function from the pull down tab.<o:p></o:p></span></span></p> 2673 2674 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2675 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2676 "Times New Roman"'><span style='mso-list:Ignore'>3.<span style='font:7.0pt "Times New Roman"'> 2677 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2678 can choose to refine/not refine the background coefficients.<o:p></o:p></span></span></p> 2679 2680 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2681 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2682 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> 2683 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2684 can select the number of background coefficients to be used (1-36).<o:p></o:p></span></span></p> 2685 2686 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2687 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2688 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> 2689 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2690 can change individual background coefficient values. Enter the value then press 2691 Enter or click the mouse elsewhere in the Background window. This will set the 2692 new value.<o:p></o:p></span></span></p> 2693 2694 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2695 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2696 "Times New Roman"'><span style='mso-list:Ignore'>6.<span style='font:7.0pt "Times New Roman"'> 2697 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2698 can introduce one or more Debye scattering terms into the background. For each 2699 one you should enter a sensible value for ‘R’ – an expected <span 2700 class=SpellE>interatomic</span> distance in an amorphous phase is appropriate. 2701 Select parameters to refine; usually start with the ‘A’ 2702 coefficients.<o:p></o:p></span></span></p> 2703 2704 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l18 level1 lfo17'><span 2705 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2706 "Times New Roman"'><span style='mso-list:Ignore'>7.<span style='font:7.0pt "Times New Roman"'> 2707 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2708 can introduce single Bragg peaks into the background. For each you should 2709 specify at least the position. Select parameters to refine; usually start with 2710 the ‘<span class=SpellE>int</span>’ coefficients.<o:p></o:p></span></span></p> 2711 2712 <h4><span style='mso-bookmark:Texture'><a name="Instrument_Parameters"><u><span 2713 style='mso-fareast-font-family:"Times New Roman"'>Instrument Parameters</span></u></a></span><span 2714 style='mso-bookmark:Texture'><u><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></u></span></h4> 2715 2716 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2717 "Times New Roman"'>This window shows the instrument parameters for the selected 2718 powder data set. <o:p></o:p></span></span></p> 2719 2720 <h5><span style='mso-bookmark:Texture'><a name="Sample_Parameters"><span 2721 style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></a></span></h5> 2722 2723 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2724 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 3064 the table.</p> 3065 3066 <div class=MsoNormal align=center style='text-align:center'><span 3067 style='mso-fareast-font-family:"Times New Roman"'> 3068 3069 <hr size=2 width="100%" align=center> 3070 3071 </span></div> 3072 3073 <div class=MsoNormal align=center style='text-align:center'><span 3074 style='mso-fareast-font-family:"Times New Roman"'> 3075 3076 <hr size=2 width="100%" align=center> 3077 3078 </span></div> 3079 3080 <h2><a name=Plots><span style='mso-fareast-font-family:"Times New Roman"'>3. 3081 GSAS-II Plots Window</span></a><span style='mso-bookmark:Plots'></span><span 3082 style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span><span 3083 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h2> 3084 3085 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3086 window presents all the graphical material as a multipage tabbed set of plots 3087 utilizing the <span class=SpellE>matplotlib</span> python package. Each page 3088 has a tool bar (at bottom in Windows) with the controls<o:p></o:p></span></p> 3089 3090 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"; 3091 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 3092 src=graphbar.jpg></span><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 3093 3094 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>These 3095 are Home, Back, Forward, Pan, Zoom, Save and Help, respectively. <o:p></o:p></span></p> 3096 3097 <ul type=disc> 3098 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3099 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3100 "Times New Roman"'>Home: returns the plot to the initial scaling <o:p></o:p></span></li> 3101 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3102 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3103 "Times New Roman"'>Back: returns the plot to the previous scaling <o:p></o:p></span></li> 3104 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3105 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3106 "Times New Roman"'>Forward: reverses the action in the previous press(es) 3107 of the Back button <o:p></o:p></span></li> 3108 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3109 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3110 "Times New Roman"'>Pan: allows you to control panning across the plot 3111 (press left mouse button) and zooming (press right mouse button), <o:p></o:p></span></li> 3112 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3113 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3114 "Times New Roman"'>Zoom: allows you to select a portion of the plot (press 3115 right mouse button & drag for zoom box) for the next plot. <o:p></o:p></span></li> 3116 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3117 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3118 "Times New Roman"'>Save: allows you to save the currently displayed plot 3119 in one of several graphical formats suitable for printing or insertion in 3120 a document.<o:p></o:p></span></li> 3121 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 3122 mso-list:l1 level1 lfo17;tab-stops:list .5in'><span style='mso-fareast-font-family: 3123 "Times New Roman"'>Help: accesses GSASII help on the specific plot type. <o:p></o:p></span></li> 3124 </ul> 3125 3126 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 3127 3128 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>Below 3129 the toolbar may be a status bar that on the left may show either an instruction 3130 for a keyed input or a pull down selection of keyed input; on the right may be 3131 displayed position dependent information that is updated as the mouse is moved 3132 over the plot region.<o:p></o:p></span></p> 3133 3134 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'><o:p> </o:p></span></p> 3135 3136 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3137 specific types of plots that are pages in the GSASII Plots windows are next.<o:p></o:p></span></p> 3138 3139 <h4><a name="Powder_Patterns"><span style='mso-fareast-font-family:"Times New Roman"'>Powder 3140 Patterns</span></a><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 3141 3142 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3143 powder patterns that are part of your project are shown on this page. They can 3144 be displayed as a stack of powder patterns, just a single pattern or as a 3145 contour image of the peak intensities. What can be done here will depend on 3146 which is displayed and on which item in the GSAS-II data tree you have 3147 selected.<o:p></o:p></span></p> 3148 3149 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3150 3151 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l18 level1 lfo18'><![if !supportLists]><span 2725 3152 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 2726 3153 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2727 style='mso-fareast-font-family:"Times New Roman"'>Menu ‘<b 2728 style='mso-bidi-font-weight:normal'>Operations</b>’ – <o:p></o:p></span></span></span></p> 2729 2730 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2731 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2732 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2733 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>a.<span 2734 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2735 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Reset 2736 profile </span></b></span></span><span style='mso-bookmark:Texture'><span 2737 style='mso-bookmark:Sample_Parameters'><span style='mso-fareast-font-family: 2738 "Times New Roman"'>– resets the values for the instrument parameters to 2739 the default values shown in parentheses for each entry.<o:p></o:p></span></span></span></p> 2740 2741 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2742 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2743 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2744 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>b.<span 2745 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2746 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Copy</span></b></span></span><span 2747 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2748 style='mso-fareast-font-family:"Times New Roman"'> – this copies the 2749 instrument parameters shown to other selected powder patterns. If used, a 2750 dialog box (Copy Parameters) will appear showing the list of available powder 2751 patterns, you can copy the instrument parameters to any or all of them; select 2752 ‘All’ to copy them to all patterns. Then select ‘OK’ to 2753 do the copy; ‘Cancel’ to cancel the operation.<o:p></o:p></span></span></span></p> 2754 2755 <p class=MsoListParagraphCxSpMiddle style='margin-left:1.0in;mso-add-space: 2756 auto;text-indent:-.25in;mso-list:l15 level1 lfo11'><span style='mso-bookmark: 2757 Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2758 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>c.<span 2759 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><b 2760 style='mso-bidi-font-weight:normal'><span style='mso-fareast-font-family:"Times New Roman"'>Change 2761 radiation</span></b></span></span><span style='mso-bookmark:Texture'><span 2762 style='mso-bookmark:Sample_Parameters'><span style='mso-fareast-font-family: 2763 "Times New Roman"'> – this changes the radiation between single 2764 wavelength (e.g. for synchrotron source) and K</span></span></span><span 2765 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><sub><span 2766 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub></span></span><span 2767 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><sub><span 2768 style='mso-fareast-font-family:"Times New Roman"'>1</span></sub></span></span><span 2769 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2770 style='mso-fareast-font-family:"Times New Roman"'>/K</span></span></span><span 2771 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><sub><span 2772 style='font-family:Symbol;mso-fareast-font-family:"Times New Roman"'>a</span></sub></span></span><span 2773 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><sub><span 2774 style='mso-fareast-font-family:"Times New Roman"'>2</span></sub></span></span><span 2775 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2776 style='mso-fareast-font-family:"Times New Roman"'> wavelength pairs (e.g. a 2777 laboratory tube source).<o:p></o:p></span></span></span></p> 2778 2779 <p class=MsoListParagraphCxSpMiddle style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2780 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 3154 style='mso-fareast-font-family:"Times New Roman"'>Move the mouse cursor across 3155 the plot. <o:p></o:p></span></p> 3156 3157 <h4><a name=Covariance><span style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a><span 3158 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></h4> 3159 3160 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>The 3161 variance-covariance matrix as a color coded array is shown on this page. The 3162 color bar to the right shows the range of <span class=SpellE>covariances</span> 3163 (-1 to 1) and corresponding colors. The parameter names are to the right and 3164 the parameter numbers are below the plot.<o:p></o:p></span></p> 3165 3166 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3167 3168 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 3169 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>1.<span 3170 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]>Move 3171 the mouse cursor across the plot. If on a diagonal cell, the parameter name, 3172 value and <span class=SpellE>esd</span> is shown both as a tool tip and in the 3173 right hand portion of the status bar. If the cursor is off the diagonal, the 3174 two parameter names and their covariance are shown in the tool tip and the 3175 status bar.</p> 3176 3177 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l4 level1 lfo19'><![if !supportLists]><span 2781 3178 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>2.<span 2782 3179 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2783 style='mso-fareast-font-family:"Times New Roman"'>You can change any of the 2784 profile coefficients<o:p></o:p></span></span></span></p> 2785 2786 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2787 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><![if !supportLists]><span 2788 style='mso-fareast-font-family:"Times New Roman"'><span style='mso-list:Ignore'>3.<span 2789 style='font:7.0pt "Times New Roman"'> </span></span></span><![endif]><span 2790 style='mso-fareast-font-family:"Times New Roman"'>You can choose to refine any 2791 profile coefficients. <b style='mso-bidi-font-weight:normal'>NB</b>: In certain 2792 circumstances some choices are ignored e.g. Zero is not refined during peak 2793 fitting. Also some choices may lead to unstable refinement, e.g. <span 2794 class=GramE>Lam</span> refinement and lattice parameter refinement. Examine the 2795 ‘</span></span></span><a href="#Covariance"><span style='mso-bookmark: 2796 Texture'><span style='mso-bookmark:Sample_Parameters'><span style='mso-fareast-font-family: 2797 "Times New Roman"'>Covariance’</span></span></span><span 2798 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'></span></span></a><span 2799 style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2800 style='mso-fareast-font-family:"Times New Roman"'> display for highly 2801 correlated parameters.<o:p></o:p></span></span></span></p> 2802 2803 <h4><span style='mso-bookmark:Texture'><span style='mso-bookmark:Sample_Parameters'><span 2804 style='mso-fareast-font-family:"Times New Roman"'>Sample Parameters</span></span></span><span 2805 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2806 2807 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2808 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2809 2810 <h4><span style='mso-bookmark:Texture'><a name="Powder_Peaks"></a><a 2811 name="Peak_List"><span style='mso-bookmark:Powder_Peaks'><span 2812 style='mso-fareast-font-family:"Times New Roman"'>Peak List</span></span></a></span><span 2813 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2814 2815 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2816 "Times New Roman"'>This window shows the list of peaks that will be used by the 2817 peak fitting refinement. It is filled by picking peaks in the powder pattern 2818 displayed in the GSASII Plots window as a sequence of ‘+’ marks. 2819 See </span></span><a href="#Powder_Patterns"><span style='mso-bookmark:Texture'><span 2820 style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns</span></span><span 2821 style='mso-bookmark:Texture'></span></a><span style='mso-bookmark:Texture'><span 2822 style='mso-fareast-font-family:"Times New Roman"'> below for details for what 2823 can be done on this plot.<o:p></o:p></span></span></p> 2824 2825 <h4><span style='mso-bookmark:Texture'><a name="Index_Peaks"><span 2826 style='mso-fareast-font-family:"Times New Roman"'>Index Peak List</span></a></span><span 2827 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2828 2829 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2830 "Times New Roman"'>This window shows the list of peaks that will be used for 2831 indexing (see </span></span><a href="#Unit_Cells_List"><span style='mso-bookmark: 2832 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Unit Cells 2833 List</span></span><span style='mso-bookmark:Texture'></span></a><span 2834 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>). 2835 It must be filled before indexing can proceed. When indexing is completed, this 2836 display will show the resulting <span class=SpellE>hkl</span> values for every 2837 indexed reflection along with the calculated d-spacing (‘d-<span 2838 class=SpellE>calc</span>’) for the selected unit cell in </span></span><a 2839 href="#Unit_Cells_List"><span style='mso-bookmark:Texture'><span 2840 style='mso-fareast-font-family:"Times New Roman"'>Unit Cells List</span></span><span 2841 style='mso-bookmark:Texture'></span></a><span style='mso-bookmark:Texture'><span 2842 style='mso-fareast-font-family:"Times New Roman"'>.<o:p></o:p></span></span></p> 2843 2844 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2845 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 2846 2847 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2848 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2849 "Times New Roman"'><span style='mso-list:Ignore'>4.<span style='font:7.0pt "Times New Roman"'> 2850 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Menu 2851 ‘<b style='mso-bidi-font-weight:normal'>Operations</b>’ – <b 2852 style='mso-bidi-font-weight:normal'>Load/Reload</b> – loads the peak 2853 positions & intensities from the </span></span><a href="#Peak_List"><span 2854 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Peak 2855 List</span></span><span style='mso-bookmark:Texture'></span></a><span 2856 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2857 to make them available for the indexing routine. The d-<span class=SpellE>obs</span> 2858 is obtained from Bragg’s Law after applying the Zero correction shown on 2859 the </span></span><a href="#Instrument_Parameters"><span style='mso-bookmark: 2860 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Instrument 2861 Parameters</span></span><span style='mso-bookmark:Texture'></span></a><span 2862 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2863 table to the position shown here.<o:p></o:p></span></span></p> 2864 2865 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l7 level1 lfo10'><span 2866 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 2867 "Times New Roman"'><span style='mso-list:Ignore'>5.<span style='font:7.0pt "Times New Roman"'> 2868 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>You 2869 may deselect individual peaks from indexing by <span class=SpellE>unchecking</span> 2870 the corresponding ‘use’ box.<o:p></o:p></span></span></p> 2871 2872 <h4><span style='mso-bookmark:Texture'><a name="Cell_Indexing_Refine"><span 2873 style='mso-fareast-font-family:"Times New Roman"'>Unit Cells List</span></a></span><span 2874 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2875 2876 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2877 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2878 2879 <h4><span style='mso-bookmark:Texture'><a name="Reflection_List"><span 2880 style='mso-fareast-font-family:"Times New Roman"'>Reflection List</span></a></span><span 2881 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 2882 2883 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2884 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2885 2886 <h3><span style='mso-bookmark:Texture'>Single Crystal Histograms - HKLF</span></h3> 2887 2888 <h3><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2889 "Times New Roman"'>Pair Distribution Functions - PDF<o:p></o:p></span></span></h3> 2890 2891 <h4><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2892 "Times New Roman"'>PDF Controls<o:p></o:p></span></span></h4> 2893 2894 <h4><span style='mso-bookmark:Texture'><span class=GramE><span 2895 style='mso-fareast-font-family:"Times New Roman"'>I(</span></span></span><span 2896 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Q), 2897 S(Q), F(Q) & G(R)<o:p></o:p></span></span></h4> 2898 2899 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2900 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2901 2902 <h3><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2903 "Times New Roman"'>2-D Images – IMG<o:p></o:p></span></span></h3> 2904 2905 <h4><span style='mso-bookmark:Texture'><a name=Images>Image Controls</a></span></h4> 2906 2907 <span style='mso-bookmark:Images'></span> 2908 2909 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2910 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2911 2912 <h4><span style='mso-bookmark:Texture'><a name="_Image_Masks"></a></span><a 2913 href="#_Image_Masks"><span style='mso-bookmark:Texture'><span style='color: 2914 #4F81BD;mso-themecolor:accent1;text-decoration:none;text-underline:none'>Image 2915 Ma<span style='mso-bookmark:Image_Masks'></span>sks</span></span></a><![if !supportNestedAnchors]><a 2916 name="Image_Masks"></a><![endif]><span style='mso-bookmark:Texture'></span></h4> 2917 2918 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2919 "Times New Roman"'>This window... <o:p></o:p></span></span></p> 2920 2921 <div class=MsoNormal align=center style='text-align:center'><span 2922 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2923 2924 <hr size=2 width="100%" align=center> 2925 2926 </span></span></div> 2927 2928 <div class=MsoNormal align=center style='text-align:center'><span 2929 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'> 2930 2931 <hr size=2 width="100%" align=center> 2932 2933 </span></span></div> 2934 2935 <h2><span style='mso-bookmark:Texture'><a name=Plots><span style='mso-fareast-font-family: 2936 "Times New Roman"'>3. GSAS-II Plots Window</span></a></span><span 2937 style='mso-bookmark:Plots'></span><span style='mso-bookmark:Texture'><span 2938 style='mso-fareast-font-family:"Times New Roman";font-weight:normal'> </span></span><span 2939 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h2> 2940 2941 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2942 "Times New Roman"'>This window presents all the graphical material as a 2943 multipage tabbed set of plots utilizing the <span class=SpellE>matplotlib</span> 2944 python package. Each page has a tool bar (at bottom in Windows) with the 2945 controls<o:p></o:p></span></span></p> 2946 2947 <p class=MsoNormal><span style='mso-bookmark:Texture'></span><span 2948 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"; 2949 mso-no-proof:yes'><img border=0 width=225 height=31 id="_x0000_i1032" 2950 src=graphbar.jpg></span></span><span style='mso-bookmark:Texture'><span 2951 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></p> 2952 2953 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2954 "Times New Roman"'>These are Home, Back, Forward, Pan, Zoom, Save and Help, 2955 respectively. <o:p></o:p></span></span></p> 2956 2957 <ul type=disc> 2958 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2959 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2960 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Home: 2961 returns the plot to the initial scaling <o:p></o:p></span></span></li> 2962 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2963 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2964 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Back: 2965 returns the plot to the previous scaling <o:p></o:p></span></span></li> 2966 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2967 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2968 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Forward: 2969 reverses the action in the previous press(es) of the Back button <o:p></o:p></span></span></li> 2970 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2971 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2972 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Pan: 2973 allows you to control panning across the plot (press left mouse button) 2974 and zooming (press right mouse button), <o:p></o:p></span></span></li> 2975 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2976 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2977 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Zoom: 2978 allows you to select a portion of the plot (press right mouse button & 2979 drag for zoom box) for the next plot. <o:p></o:p></span></span></li> 2980 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2981 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2982 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Save: 2983 allows you to save the currently displayed plot in one of several 2984 graphical formats suitable for printing or insertion in a document.<o:p></o:p></span></span></li> 2985 <li class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 2986 mso-list:l1 level1 lfo12;tab-stops:list .5in'><span style='mso-bookmark: 2987 Texture'><span style='mso-fareast-font-family:"Times New Roman"'>Help: 2988 accesses GSASII help on the specific plot type. <o:p></o:p></span></span></li> 2989 </ul> 2990 2991 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2992 "Times New Roman"'><o:p> </o:p></span></span></p> 2993 2994 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 2995 "Times New Roman"'>Below the toolbar may be a status bar that on the left may 2996 show either an instruction for a keyed input or a pull down selection of keyed 2997 input; on the right may be displayed position dependent information that is 2998 updated as the mouse is moved over the plot region.<o:p></o:p></span></span></p> 2999 3000 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3001 "Times New Roman"'><o:p> </o:p></span></span></p> 3002 3003 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3004 "Times New Roman"'>The specific types of plots that are pages in the GSASII 3005 Plots windows are next.<o:p></o:p></span></span></p> 3006 3007 <h4><span style='mso-bookmark:Texture'><a name="Powder_Patterns"><span 3008 style='mso-fareast-font-family:"Times New Roman"'>Powder Patterns</span></a></span><span 3009 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 3010 3011 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3012 "Times New Roman"'>The powder patterns that are part of your project are shown 3013 on this page. They can be displayed as a stack of powder patterns, just a 3014 single pattern or as a contour image of the peak intensities. What can be done 3015 here will depend on which is displayed and on which item in the GSAS-II data 3016 tree you have selected.<o:p></o:p></span></span></p> 3017 3018 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3019 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 3020 3021 <p class=MsoListParagraph style='text-indent:-.25in;mso-list:l20 level1 lfo22'><span 3022 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 3023 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 3024 </span></span></span><![endif]><span style='mso-fareast-font-family:"Times New Roman"'>Move 3025 the mouse cursor across the plot. <o:p></o:p></span></span></p> 3026 3027 <h4><span style='mso-bookmark:Texture'><a name=Covariance><span 3028 style='mso-fareast-font-family:"Times New Roman"'>Covariance</span></a></span><span 3029 style='mso-bookmark:Texture'><span style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></span></h4> 3030 3031 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3032 "Times New Roman"'>The variance-covariance matrix as a color coded array is 3033 shown on this page. The color bar to the right shows the range of <span 3034 class=SpellE>covariances</span> (-1 to 1) and corresponding colors. The parameter 3035 names are to the right and the parameter numbers are below the plot.<o:p></o:p></span></span></p> 3036 3037 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3038 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 3039 3040 <p class=MsoListParagraphCxSpFirst style='text-indent:-.25in;mso-list:l6 level1 lfo13'><span 3041 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 3042 "Times New Roman"'><span style='mso-list:Ignore'>1.<span style='font:7.0pt "Times New Roman"'> 3043 </span></span></span><![endif]>Move the mouse cursor across the plot. If on a 3044 diagonal cell, the parameter name, value and <span class=SpellE>esd</span> is shown 3045 both as a tool tip and in the right hand portion of the status bar. If the 3046 cursor is off the diagonal, the two parameter names and their covariance are 3047 shown in the tool tip and the status bar.</span></p> 3048 3049 <p class=MsoListParagraphCxSpLast style='text-indent:-.25in;mso-list:l6 level1 lfo13'><span 3050 style='mso-bookmark:Texture'><![if !supportLists]><span style='mso-fareast-font-family: 3051 "Times New Roman"'><span style='mso-list:Ignore'>2.<span style='font:7.0pt "Times New Roman"'> 3052 </span></span></span><![endif]><span class=GramE>Type ‘s’</span> 3053 – A color scheme selection dialog is shown. Select a color scheme and 3054 press <span class=GramE>OK,</span> the new color scheme will be plotted. The 3055 default is ‘<span class=SpellE>RdYlGn</span>’.</span></p> 3056 3057 <h4><span style='mso-bookmark:Texture'><a name="Structure_Factors"><span 3058 style='mso-fareast-font-family:"Times New Roman"'>Structure Factors </span></a></span></h4> 3059 3060 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3061 "Times New Roman"'>This plot shows... <o:p></o:p></span></span></p> 3062 3063 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3064 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 3065 3066 <h4><span style='mso-bookmark:Texture'><a name="Powder_Lines"><span 3067 style='mso-fareast-font-family:"Times New Roman"'>Powder Lines </span></a></span></h4> 3068 3069 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3070 "Times New Roman"'>This plot shows... <o:p></o:p></span></span></p> 3071 3072 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3073 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 3074 3075 <h4><span style='mso-bookmark:Texture'><a name="Peak_Widths"><span 3076 style='mso-fareast-font-family:"Times New Roman"'>Peak Widths </span></a></span></h4> 3077 3078 <p class=MsoNormal><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3079 "Times New Roman"'>This plot shows... <o:p></o:p></span></span></p> 3080 3081 <h5><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3082 "Times New Roman"'>What can I do here?<o:p></o:p></span></span></h5> 3083 3084 <h4><span style='mso-bookmark:Texture'><span style='mso-fareast-font-family: 3085 "Times New Roman"'>Texture </span></span></h4> 3180 class=GramE>Type ‘s’</span> – A color scheme selection dialog 3181 is shown. Select a color scheme and press <span class=GramE>OK,</span> the new 3182 color scheme will be plotted. The default is ‘<span class=SpellE>RdYlGn</span>’.</p> 3183 3184 <h4><a name="Structure_Factors"><span style='mso-fareast-font-family:"Times New Roman"'>Structure 3185 Factors </span></a></h4> 3086 3186 3087 3187 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This … … 3090 3190 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3091 3191 3092 <h4><a name="Sequential_refinement"><span style='mso-fareast-font-family:"Times New Roman"'>Sequential 3093 refinement </span></a></h4> 3192 <h4><a name="Powder_Lines"><span style='mso-fareast-font-family:"Times New Roman"'>Powder 3193 Lines </span></a></h4> 3194 3195 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3196 plot shows... <o:p></o:p></span></p> 3197 3198 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3199 3200 <h4><a name="Peak_Widths"><span style='mso-fareast-font-family:"Times New Roman"'>Peak 3201 Widths </span></a></h4> 3202 3203 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3204 plot shows... <o:p></o:p></span></p> 3205 3206 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3207 3208 <h4><span style='mso-fareast-font-family:"Times New Roman"'>Texture </span></h4> 3209 3210 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This 3211 plot shows... <o:p></o:p></span></p> 3212 3213 <h5><span style='mso-fareast-font-family:"Times New Roman"'>What can I do here?<o:p></o:p></span></h5> 3214 3215 <h4><a name="Sequential_refinement"></a><span style='mso-fareast-font-family: 3216 "Times New Roman"'>Sequential refinement </span></h4> 3094 3217 3095 3218 <p class=MsoNormal><span style='mso-fareast-font-family:"Times New Roman"'>This
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