Changeset 1462
- Timestamp:
- Aug 15, 2014 12:45:04 PM (8 years ago)
- Location:
- trunk
- Files:
-
- 7 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASII.py
r1461 r1462 980 980 elif 'T' in DataType: 981 981 names = ['Type','fltPath','2-theta','difC','difA', 'difB','Zero','alpha','beta-0','beta-1', 982 'beta-q','sig-0','sig-1','sig- q','X','Y','Azimuth',]983 codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0, ]982 'beta-q','sig-0','sig-1','sig-2','sig-q', 'X','Y','Azimuth',] 983 codes = [0,0,0,0,0, 0,0,0,0,0, 0,0,0,0,0, 0,0,0,] 984 984 azm = 0. 985 985 if 'INS 1DETAZM' in Iparm: … … 998 998 s = Iparm['INS 1PRCF 1'].split() 999 999 if abs(pfType) == 1: 1000 data.extend([G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),G2IO.sfloat(s[3])]) 1000 data.extend([G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),G2IO.sfloat(s[3])]) #alpha, beta-0, beta-1 1001 1001 s = Iparm['INS 1PRCF 2'].split() 1002 data.extend([0.0,0.0,G2IO.sfloat(s[1]), 0.0,0.0,0.0,azm])1002 data.extend([0.0,0.0,G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1003 1003 elif abs(pfType) in [3,4,5]: 1004 data.extend([G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),G2IO.sfloat(s[2])]) 1004 data.extend([G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),G2IO.sfloat(s[2])]) #alpha, beta-0, beta-1 1005 1005 if abs(pfType) == 4: 1006 data.extend([0.0,0.0,G2IO.sfloat(s[3]),0.0,0.0,0.0, azm])1006 data.extend([0.0,0.0,G2IO.sfloat(s[3]),0.0,0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1007 1007 else: 1008 1008 s = Iparm['INS 1PRCF 2'].split() 1009 data.extend([0.0,0.0,G2IO.sfloat(s[0]), 0.0,0.0,0.0,azm])1009 data.extend([0.0,0.0,G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1010 1010 else: 1011 1011 s = Iparm['INS 1PRCF1 '].split() … … 1013 1013 s = Iparm['INS 1PRCF11'].split() 1014 1014 if abs(pfType) == 1: 1015 data.extend([G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),G2IO.sfloat(s[3])]) 1015 data.extend([G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),G2IO.sfloat(s[3])]) #alpha, beta-0, beta-1 1016 1016 s = Iparm['INS 1PRCF12'].split() 1017 data.extend([0.0,0.0,G2IO.sfloat(s[1]), 0.0,0.0,0.0,azm])1017 data.extend([0.0,0.0,G2IO.sfloat(s[1]),G2IO.sfloat(s[2]),0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1018 1018 elif abs(pfType) in [3,4,5]: 1019 data.extend([G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),G2IO.sfloat(s[2])]) 1019 data.extend([G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),G2IO.sfloat(s[2])]) #alpha, beta-0, beta-1 1020 1020 if abs(pfType) == 4: 1021 data.extend([0.0,0.0,G2IO.sfloat(s[3]),0.0,0.0,0.0, azm])1021 data.extend([0.0,0.0,G2IO.sfloat(s[3]),0.0,0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1022 1022 else: 1023 1023 s = Iparm['INS 1PRCF12'].split() 1024 data.extend([0.0,0.0,G2IO.sfloat(s[0]), 0.0,0.0,0.0,azm])1024 data.extend([0.0,0.0,G2IO.sfloat(s[0]),G2IO.sfloat(s[1]),0.0,0.0,0.0,azm]) #beta-q, sig-0, sig-1, sig-2, sig-q, X, Y 1025 1025 Inst1 = G2IO.makeInstDict(names,data,codes) 1026 1026 Inst2 = {} … … 1917 1917 self.logPlot = False 1918 1918 self.qPlot = False 1919 self.dPlot = False 1919 1920 self.sqPlot = False 1920 1921 self.SqrtPlot = False -
trunk/GSASIImath.py
r1453 r1462 2049 2049 2050 2050 ''' 2051 return ins['sig-0']+ins['sig-1']*dsp**2+ins['sig- q']*dsp2051 return ins['sig-0']+ins['sig-1']*dsp**2+ins['sig-2']*dsp**4+ins['sig-q']*dsp 2052 2052 2053 2053 def getTOFsigDeriv(dsp): … … 2059 2059 2060 2060 ''' 2061 return 1.0,dsp**2,dsp 2061 return 1.0,dsp**2,dsp**4,dsp 2062 2062 2063 2063 def getTOFgamma(ins,dsp): … … 2162 2162 dsp = pos/Parms['difC'][1] 2163 2163 if 'Pdabc' in Parms2: 2164 for x in ['sig-0','sig-1','sig- q','X','Y']:2164 for x in ['sig-0','sig-1','sig-2','sig-q','X','Y']: 2165 2165 ins[x] = Parms[x][ind] 2166 2166 Pdabc = Parms2['Pdabc'].T … … 2168 2168 bet = np.interp(dsp,Pdabc[0],Pdabc[2]) 2169 2169 else: 2170 for x in ['alpha','beta-0','beta-1','beta-q','sig-0','sig-1','sig- q','X','Y']:2170 for x in ['alpha','beta-0','beta-1','beta-q','sig-0','sig-1','sig-2','sig-q','X','Y']: 2171 2171 ins[x] = Parms[x][ind] 2172 2172 alp = getTOFalpha(ins,dsp) -
trunk/GSASIIplot.py
r1460 r1462 910 910 newPlot = True 911 911 G2frame.qPlot = not G2frame.qPlot 912 G2frame.dPlot = False 912 913 elif 'SASD' in plottype: 913 914 newPlot = True 914 G2frame.sqPlot = not G2frame.sqPlot 915 G2frame.sqPlot = not G2frame.sqPlot 916 elif event.key == 't' and 'PWDR' in plottype: 917 G2frame.dPlot = not G2frame.dPlot 918 G2frame.qPlot = False 919 newPlot = True 915 920 elif event.key == 'm': 916 921 G2frame.SqrtPlot = False … … 943 948 if 'C' in Parms['Type'][0]: 944 949 wave = G2mth.getWave(Parms) 945 if G2frame.qPlotand 'PWDR' in plottype:950 if (G2frame.qPlot or G2frame.dPlot) and 'PWDR' in plottype: 946 951 try: 947 952 xpos = 2.0*asind(xpos*wave/(4*math.pi)) … … 1024 1029 if ind.all() != [0] and ObsLine[0].get_label() in str(pick): #picked a data point 1025 1030 data = G2frame.PatternTree.GetItemPyData(G2frame.PickId) 1026 if 'C' in Parms['Type'][0]: #CW data - TOF later in an elif1031 if 'C' in Parms['Type'][0]: 1027 1032 if G2frame.qPlot: #qplot - convert back to 2-theta 1028 1033 xy[0] = 2.0*asind(xy[0]*wave/(4*math.pi)) 1034 elif G2frame.dPlot: #dplot - convert back to 2-theta 1035 xy[0] = 2.0*asind(wave/(2.*xy[0])) 1036 elif 'T' in Parms['Type'][0]: 1037 if G2frame.qPlot: #qplot - convert back to TOF 1038 xy[0] = 2.0*math.pi*difC/xy[0] 1039 elif G2frame.dPlot: #dplot - convert back to TOF 1040 xy[0] *= difC 1029 1041 XY = G2mth.setPeakparms(Parms,Parms2,xy[0],xy[1]) 1030 1042 data['peaks'].append(XY) … … 1041 1053 if G2frame.qPlot and 'PWDR' in plottype: #qplot - convert back to 2-theta 1042 1054 xy[0] = 2.0*asind(xy[0]*wave/(4*math.pi)) 1055 elif G2frame.dPlot: #dplot - convert back to 2-theta 1056 xy[0] = 2.0*asind(wave/(2.*xy[0])) 1057 elif 'T' in Parms['Type'][0]: 1058 if G2frame.qPlot: #qplot - convert back to TOF 1059 xy[0] = 2.0*math.pi*difC/xy[0] 1060 elif G2frame.dPlot: #dplot - convert back to TOF 1061 xy[0] *= difC 1043 1062 if G2frame.ifGetExclude: 1044 1063 excl = [0,0] … … 1107 1126 else: 1108 1127 data[id][id2] = 2*math.pi*Parms['difC'][1]/xpos 1128 elif G2frame.dPlot and 'PWDR' in plottype: 1129 if 'C' in Parms['Type'][0]: 1130 data[id][id2] = 2.0*asind(wave/(2*xpos)) 1131 else: 1132 data[id][id2] *= Parms['difC'][1] 1109 1133 else: 1110 1134 data[id][id2] = xpos … … 1123 1147 else: 1124 1148 if G2frame.qPlot: 1125 data['peaks'][lineNo-2][0] = 2.0*asind(wave*xpos/(4*math.pi)) 1149 if 'C' in Parms['Type'][0]: 1150 data['peaks'][lineNo-2][0] = 2.0*asind(wave*xpos/(4*math.pi)) 1151 else: 1152 data['peaks'][lineNo-2][0] = 2*math.pi*Parms['difC'][1]/xpos 1153 elif G2frame.dPlot: 1154 if 'C' in Parms['Type'][0]: 1155 data['peaks'][lineNo-2][0] = 2.0*asind(wave/(2*xpos)) 1156 else: 1157 data['peaks'][lineNo-2][0] *= Parms['difC'][1] 1126 1158 else: 1127 1159 data['peaks'][lineNo-2][0] = xpos … … 1190 1222 if G2frame.SinglePlot: 1191 1223 Page.Choice = (' key press','n: log(I) off', 1192 'c: contour on','q: toggle q plot','m: toggle multidata plot','w: toggle divide by sig','+: no selection') 1224 'c: contour on','q: toggle q plot','t: toggle d-spacing plot', 1225 'm: toggle multidata plot','w: toggle divide by sig','+: no selection') 1193 1226 else: 1194 1227 Page.Choice = (' key press','n: log(I) off', 1195 1228 'd: offset down','l: offset left','r: offset right','u: offset up','o: reset offset', 1196 'c: contour on','q: toggle q plot','m: toggle multidata plot','w: toggle divide by sig','+: no selection') 1229 'c: contour on','q: toggle q plot','t: toggle d-spacing plot', 1230 'm: toggle multidata plot','w: toggle divide by sig','+: no selection') 1197 1231 elif 'SASD' in plottype: 1198 1232 if G2frame.SinglePlot: … … 1208 1242 Page.Choice = (' key press', 1209 1243 'b: toggle subtract background','n: log(I) on','s: toggle sqrt plot','c: contour on', 1210 'q: toggle q plot','m: toggle multidata plot','w: toggle divide by sig','+: no selection') 1244 'q: toggle q plot','t: toggle d-spacing plot','m: toggle multidata plot', 1245 'w: toggle divide by sig','+: no selection') 1211 1246 else: 1212 1247 Page.Choice = (' key press','l: offset left','r: offset right','d: offset down', 1213 1248 'u: offset up','o: reset offset','b: toggle subtract background','n: log(I) on','c: contour on', 1214 'q: toggle q plot','m: toggle multidata plot','w: toggle divide by sig','+: no selection') 1249 'q: toggle q plot','t: toggle d-spacing plot','m: toggle multidata plot', 1250 'w: toggle divide by sig','+: no selection') 1215 1251 elif 'SASD' in plottype: 1216 1252 if G2frame.SinglePlot: … … 1283 1319 if G2frame.qPlot or 'SASD' in plottype: 1284 1320 Plot.set_xlabel(r'$Q, \AA^{-1}$',fontsize=16) 1321 elif G2frame.dPlot and 'PWDR' in plottype: 1322 Plot.set_xlabel(r'$d, \AA$',fontsize=16) 1285 1323 else: 1286 1324 if 'C' in ParmList[0]['Type'][0]: … … 1339 1377 else: 1340 1378 X = 2*np.pi*Parms['difC'][1]/(xye[0]-Zero) 1379 elif G2frame.dPlot and 'PWDR' in plottype: 1380 Id = G2gd.GetPatternTreeItemId(G2frame,G2frame.root, Pattern[2]) 1381 if 'C' in Parms['Type'][0]: 1382 X = wave/(2.*npsind(xye[0]-Zero)/2.0) 1383 else: 1384 X = (xye[0]-Zero)/Parms['difC'][1] 1341 1385 else: 1342 1386 X = xye[0]-Zero … … 1363 1407 else: 1364 1408 limits = 2*np.pi*difC/limits 1409 elif G2frame.dPlot and 'PWDR' in plottype: 1410 if 'C' in Parms['Type'][0]: 1411 limits = wave/(2*npsind(limits/2.0)) 1412 else: 1413 limits /= difC 1365 1414 Lines.append(Plot.axvline(limits[1][0],color='g',dashes=(5,5),picker=3.)) 1366 1415 Lines.append(Plot.axvline(limits[1][1],color='r',dashes=(5,5),picker=3.)) … … 1482 1531 else: 1483 1532 Lines.append(Plot.axvline(2*math.pi*difC/item[0],color=colors[N%6],picker=2.)) 1533 if G2frame.dPlot: 1534 if 'C' in Parms['Type'][0]: 1535 Lines.append(Plot.axvline(wave/(2*sind(item[0]/2.)),color=colors[N%6],picker=2.)) 1536 else: 1537 Lines.append(Plot.axvline(item[0]/difC,color=colors[N%6],picker=2.)) 1484 1538 else: 1485 1539 Lines.append(Plot.axvline(item[0],color=colors[N%6],picker=2.)) … … 1514 1568 for peak in peaks: 1515 1569 if G2frame.qPlot: 1516 Plot.axvline(4*np.pi*sind(peak[0]/2.0)/wave,color='b') 1570 if 'C' in Parms['Type'][0]: 1571 Plot.axvline(4*np.pi*sind(peak[0]/2.0)/wave,color='b') 1572 else: 1573 Plot.axvline(2*np.pi*Parms['difC'][1]/peak[0],color='b') 1574 if G2frame.dPlot: 1575 if 'C' in Parms['Type'][0]: 1576 Plot.axvline(wave/(2*sind(peak[0]/2.0)),color='b') 1577 else: 1578 Plot.avline(peak[0]/Parms['difC'][1],color='b') 1517 1579 else: 1518 1580 Plot.axvline(peak[0],color='b') 1519 1581 for hkl in G2frame.HKL: 1520 1582 if G2frame.qPlot: 1521 Plot.axvline(4*np.pi*sind(hkl[5]/2.0)/wave,color='r',dashes=(5,5)) 1583 if 'C' in Parms['Type'][0]: 1584 Plot.axvline(4*np.pi*sind(hkl[5]/2.0)/wave,color='b') 1585 else: 1586 Plot.axvline(2*np.pi*Parms['difC'][1]/hkl[5],color='b') 1587 if G2frame.dPlot: 1588 if 'C' in Parms['Type'][0]: 1589 Plot.axvline(wave/(2*sind(hkl[5]/2.0)),color='b') 1590 else: 1591 Plot.avline(hkl[5]/Parms['difC'][1],color='b') 1522 1592 else: 1523 1593 Plot.axvline(hkl[5],color='r',dashes=(5,5)) … … 1537 1607 if G2frame.qPlot: 1538 1608 Plot.plot(2*np.pi/peak.T[0],pos,refColors[pId%6]+'|',mew=1,ms=8,picker=3.,label=phase) 1609 elif G2frame.dPlot: 1610 Plot.plot(peak.T[0],pos,refColors[pId%6]+'|',mew=1,ms=8,picker=3.,label=phase) 1539 1611 else: 1540 1612 Plot.plot(peak.T[1],pos,refColors[pId%6]+'|',mew=1,ms=8,picker=3.,label=phase) … … 2245 2317 '%.3f'%(2*theta) 2246 2318 G2frame.G2plotNB.Delete('Peak Widths') 2247 else: 2319 else: #'T'OF 2248 2320 Plot.set_title('Instrument and sample peak coefficients') 2249 2321 Plot.set_xlabel(r'$Q, \AA^{-1}$',fontsize=14) -
trunk/GSASIIpwd.py
r1459 r1462 480 480 'needs a doc string' 481 481 sig = lambda Th,U,V,W: 1.17741*math.sqrt(max(0.001,U*tand(Th)**2+V*tand(Th)+W))*math.pi/180. 482 sigTOF = lambda dsp,S0,S1,S q: S0+S1*dsp**2+Sq*dsp482 sigTOF = lambda dsp,S0,S1,S2,Sq: S0+S1*dsp**2+S2*dsp**4+Sq*dsp 483 483 gam = lambda Th,X,Y: (X/cosd(Th)+Y*tand(Th))*math.pi/180. 484 484 gamTOF = lambda dsp,X,Y: X*dsp+Y*dsp**2 … … 488 488 else: 489 489 dsp = pos/Inst['difC'][0] 490 s = sigTOF(dsp,Inst['sig-0'][1],Inst['sig-1'][1],Inst['sig- q'][1])490 s = sigTOF(dsp,Inst['sig-0'][1],Inst['sig-1'][1],Inst['sig-2'][1],Inst['sig-q'][1]) 491 491 g = gamTOF(dsp,Inst['X'][1],Inst['Y'][1]) 492 492 return getgamFW(g,s) … … 1013 1013 if sigName in varyList: 1014 1014 sig = parmDict[sigName] 1015 dsds0 = dsds1 = dsds2 = 01015 dsds0 = dsds1 = dsds2 = dsds3 = 0 1016 1016 else: 1017 1017 sig = G2mth.getTOFsig(parmDict,dsp) 1018 dsds0,dsds1,dsds2 = G2mth.getTOFsigDeriv(dsp)1018 dsds0,dsds1,dsds2,dsds3 = G2mth.getTOFsigDeriv(dsp) 1019 1019 gamName = 'gam'+str(iPeak) 1020 1020 if gamName in varyList: … … 1063 1063 if 'sig-1' in varyList: 1064 1064 dMdv[varyList.index('sig-1')] += dsds1*dervDict['sig'] 1065 if 'sig-2' in varyList: 1066 dMdv[varyList.index('sig-2')] += dsds2*dervDict['sig'] 1065 1067 if 'sig-q' in varyList: 1066 dMdv[varyList.index('sig-q')] += dsds 2*dervDict['sig']1068 dMdv[varyList.index('sig-q')] += dsds3*dervDict['sig'] 1067 1069 if 'X' in varyList: 1068 1070 dMdv[varyList.index('X')] += dsdX*dervDict['gam'] … … 1302 1304 insVals.append(Inst[parm][1]) 1303 1305 if parm in ['U','V','W','X','Y','SH/L','I(L2)/I(L1)','alpha', 1304 'beta-0','beta-1','beta-q','sig-0','sig-1','sig- q',] and Inst[parm][2]:1306 'beta-0','beta-1','beta-q','sig-0','sig-1','sig-2','sig-q',] and Inst[parm][2]: 1305 1307 insVary.append(parm) 1306 1308 instDict = dict(zip(insNames,insVals)) … … 1344 1346 for parm in Inst: 1345 1347 if parm in ['U','V','W','X','Y','SH/L','I(L2)/I(L1)','alpha', 1346 'beta-0','beta-1','beta-q','sig-0','sig-1','sig- q',]:1348 'beta-0','beta-1','beta-q','sig-0','sig-1','sig-2','sig-q',]: 1347 1349 ptlbls += "%s" % (parm.center(12)) 1348 1350 ptstr += ptfmt % (Inst[parm][1]) -
trunk/GSASIIpwdGUI.py
r1461 r1462 929 929 for key in keys: 930 930 if key in ['Type','U','V','W','X','Y','SH/L','I(L2)/I(L1)','alpha', 931 'beta-0','beta-1','beta-q','sig-0','sig-1','sig- q','Polariz.',931 'beta-0','beta-1','beta-q','sig-0','sig-1','sig-2','sig-q','Polariz.', 932 932 'Lam','Azimuth','2-theta','fltPath','difC','difA','difB','Zero','Lam1','Lam2']: 933 933 good.append(key) … … 1007 1007 File.close() 1008 1008 Inst,Inst2 = G2frame.PatternTree.GetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId,'Instrument Parameters')) 1009 inst= G2IO.makeInstDict(newItems,newVals,len(newVals)*[False,])1010 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId,'Instrument Parameters'),[ inst,Inst2])1009 data = G2IO.makeInstDict(newItems,newVals,len(newVals)*[False,]) 1010 G2frame.PatternTree.SetItemPyData(G2gd.GetPatternTreeItemId(G2frame,G2frame.PatternId,'Instrument Parameters'),[data,Inst2]) 1011 1011 RefreshInstrumentGrid(event,doAnyway=True) #to get peaks updated 1012 1012 UpdateInstrumentGrid(G2frame,data) … … 1273 1273 refFlgElem.append(None) 1274 1274 if 'Pdabc' in Inst2: 1275 Items = ['sig-0','sig-1',' X','Y']1275 Items = ['sig-0','sig-1','sig-2','sig-q','X','Y'] 1276 1276 subSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' difC: '),0,WACV) 1277 1277 txt = '%8.2f'%(insVal['difC']) … … 1283 1283 subSizer.Add(wx.StaticText(G2frame.dataDisplay,-1,' alpha, beta: fixed by table'),0,WACV) 1284 1284 else: 1285 Items = ['difC','difA','difB','Zero','alpha','beta-0','beta-1','beta-q','sig-0','sig-1','sig- q','','X','Y']1285 Items = ['difC','difA','difB','Zero','alpha','beta-0','beta-1','beta-q','sig-0','sig-1','sig-2','sig-q','X','Y'] 1286 1286 mainSizer.Add((5,5),0) 1287 1287 mainSizer.Add(subSizer) … … 1393 1393 insDef['Azimuth'] = 0.0 1394 1394 insRef['Azimuth'] = False 1395 if 'T' in insVal['Type']:1396 if 'difB' not in insVal:1397 insVal['difB'] = 0.01398 insDef['difB'] = 0.01399 insRef['difB'] = False1395 # if 'T' in insVal['Type']: 1396 # if 'difB' not in insVal: 1397 # insVal['difB'] = 0.0 1398 # insDef['difB'] = 0.0 1399 # insRef['difB'] = False 1400 1400 #end of patch 1401 1401 if 'P' in insVal['Type']: #powder data menu commands -
trunk/GSASIIstrMain.py
r1461 r1462 42 42 43 43 ateln2 = 8.0*math.log(2.0) 44 DEBUG = False44 DEBUG = True 45 45 46 46 def RefineCore(Controls,Histograms,Phases,restraintDict,rigidbodyDict,parmDict,varyList, -
trunk/GSASIIstrMath.py
r1461 r1462 1185 1185 for iPO in dIdPO: 1186 1186 dIdPO[iPO] /= POcorr 1187 AbsCorr = GetAbsorb(refl,hfx,calcControls,parmDict) 1188 dFdAb = GetAbsorbDerv(refl,hfx,calcControls,parmDict)/AbsCorr 1187 dFdAb = GetAbsorbDerv(refl,hfx,calcControls,parmDict)*refl[14]/refl[16] #wave/abs corr 1189 1188 dFdEx = GetPwdrExtDerv(refl,pfx,phfx,hfx,calcControls,parmDict) 1190 1189 return dIdsh,dIdsp,dIdPola,dIdPO,dFdODF,dFdSA,dFdAb,dFdEx … … 1612 1611 1613 1612 def GetReflSigGamTOF(refl,G,GB,phfx,calcControls,parmDict): 1614 sig = parmDict[hfx+'sig-0']+parmDict[hfx+'sig-1']*refl[4]**2+parmDict[hfx+'sig-q']*refl[4] 1613 sig = parmDict[hfx+'sig-0']+parmDict[hfx+'sig-1']*refl[4]**2+ \ 1614 parmDict[hfx+'sig-2']*refl[4]**4+parmDict[hfx+'sig-q']*refl[4] 1615 1615 gam = parmDict[hfx+'X']*refl[4]+parmDict[hfx+'Y']*refl[4]**2 1616 1616 Ssig,Sgam = GetSampleSigGam(refl,0.0,G,GB,hfx,phfx,calcControls,parmDict) … … 1884 1884 hfx+'alpha':[1./refl[4],'alp'],hfx+'beta-0':[1.0,'bet'],hfx+'beta-1':[1./refl[4]**4,'bet'], 1885 1885 hfx+'beta-q':[1./refl[4],'bet'],hfx+'sig-0':[1.0,'sig'],hfx+'sig-1':[refl[4]**2,'sig'], 1886 hfx+'sig-q':[refl[4],'sig'],hfx+'Absorption':[dFdAb,'int'],hfx+'Extinction':[dFdEx,'int'],} 1886 hfx+'sig-2':[refl[4]**4,'sig'],hfx+'sig-q':[refl[4],'sig'], 1887 hfx+'Absorption':[dFdAb,'int'],hfx+'Extinction':[dFdEx,'int'],} 1887 1888 for name in names: 1888 1889 item = names[name]
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