Changeset 5048
- Timestamp:
- Oct 15, 2021 9:28:03 PM (2 years ago)
- Location:
- trunk
- Files:
-
- 2 edited
Legend:
- Unmodified
- Added
- Removed
-
trunk/GSASIIpwdGUI.py
r5025 r5048 1151 1151 reflGrid.SetScrollRate(10,10) 1152 1152 G2frame.reflGrid = reflGrid 1153 # mainSizer.Add(reflGrid,1,wx.ALL|wx.EXPAND,1) 1153 topSizer = wx.BoxSizer(wx.HORIZONTAL) 1154 topSizer.Add((-1,-1),1,wx.EXPAND) 1155 topSizer.Add(wx.StaticText(G2frame.dataWindow,label='List of peaks to fit individually'),0,WACV) 1156 topSizer.Add((-1,-1),1,wx.EXPAND) 1157 topSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey)) 1158 mainSizer.Add(topSizer,0,wx.EXPAND) 1154 1159 mainSizer.Add(reflGrid) 1155 mainSizer.Add(G2G.HelpButton(G2frame.dataWindow,helpIndex=G2frame.dataWindow.helpKey))1156 1160 G2frame.dataWindow.SetSizer(mainSizer) 1157 1161 G2frame.dataWindow.SetDataSize() … … 1713 1717 mainSizer = wx.BoxSizer(wx.VERTICAL) 1714 1718 topSizer = wx.BoxSizer(wx.HORIZONTAL) 1715 topSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Background used in refinement'),0,WACV) 1719 topSizer.Add((-1,-1),1,wx.EXPAND) 1720 topSizer.Add(wx.StaticText(G2frame.dataWindow,label='Background used in refinement'),0,WACV) 1716 1721 # add help button to bring up help web page - at right side of window 1717 1722 topSizer.Add((-1,-1),1,wx.EXPAND) … … 1802 1807 mainSizer = wx.BoxSizer(wx.VERTICAL) 1803 1808 topSizer = wx.BoxSizer(wx.HORIZONTAL) 1804 topSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Data used in refinement'),0,WACV) 1809 topSizer.Add((-1,-1),1,wx.EXPAND) 1810 topSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Data range to be used in fits'),0,WACV) 1805 1811 # add help button to bring up help web page - at right side of window 1806 1812 topSizer.Add((-1,-1),1,wx.EXPAND) … … 2949 2955 mainSizer = wx.BoxSizer(wx.VERTICAL) 2950 2956 topSizer = wx.BoxSizer(wx.HORIZONTAL) 2957 topSizer.Add((-1,-1),1,wx.EXPAND) 2951 2958 topSizer.Add(wx.StaticText(G2frame.dataWindow,label=' Sample and Experimental Parameters')) 2952 2959 # add help button to bring up help web page - at right side of window … … 4390 4397 'Orthorhombic-B','Orthorhombic-C','Orthorhombic-P', 4391 4398 'Monoclinic-I','Monoclinic-A','Monoclinic-C','Monoclinic-P','Triclinic','Triclinic',] 4392 cellGUIlist = [[[0,1,2],4,zip([" Unit cell:a = "," Vol = "],[(10,5),"%.3f"],[True,False],[0,0])],4393 [[3,4,5,6],6,zip([" Unit cell:a = "," c = "," Vol = "],[(10,5),(10,5),"%.3f"],[True,True,False],[0,2,0])],4394 [[7,8,9,10,11,12],8,zip([" Unit cell:a = "," b = "," c = "," Vol = "],[(10,5),(10,5),(10,5),"%.3f"],4399 cellGUIlist = [[[0,1,2],4,zip([" a = "," Vol = "],[(10,5),"%.3f"],[True,False],[0,0])], 4400 [[3,4,5,6],6,zip([" a = "," c = "," Vol = "],[(10,5),(10,5),"%.3f"],[True,True,False],[0,2,0])], 4401 [[7,8,9,10,11,12],8,zip([" a = "," b = "," c = "," Vol = "],[(10,5),(10,5),(10,5),"%.3f"], 4395 4402 [True,True,True,False],[0,1,2,0])], 4396 [[13,14,15,16],10,zip([" Unit cell: a = "," b = "," c = "," beta = "," Vol = "],4403 [[13,14,15,16],10,zip([" a = "," b = "," c = ",u'\u03B2 = '," Vol = "], 4397 4404 [(10,5),(10,5),(10,5),(10,3),"%.3f"],[True,True,True,True,False],[0,1,2,4,0])], 4398 [[17,18],8,zip([" Unit cell: a = "," b = "," c = "," alpha = "," beta = "," gamma = "," Vol = "],4405 [[17,18],8,zip([" a = "," b = "," c = ",u'\u03B1 = ',u'\u03B2 = ',u'\u03B3 = '," Vol = "], 4399 4406 [(10,5),(10,5),(10,5),(10,3),(10,3),(10,3),"%.3f"], 4400 4407 [True,True,True,True,True,True,False],[0,1,2,3,4,5,0])]] … … 4421 4428 mainSizer = wx.BoxSizer(wx.VERTICAL) 4422 4429 topSizer = wx.BoxSizer(wx.HORIZONTAL) 4423 topSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label=' Indexing controls: '),0,WACV) 4430 topSizer.Add((-1,-1),1,wx.EXPAND) 4431 topSizer.Add(wx.StaticText(parent=G2frame.dataWindow,label='Indexing controls'),0,WACV) 4424 4432 # add help button to bring up help web page - at right side of window 4425 4433 topSizer.Add((-1,-1),1,wx.EXPAND) … … 4446 4454 0) 4447 4455 mainSizer.Add((5,5),0) 4448 littleSizer = wx.FlexGridSizer(0,5,5,5) 4456 indentSizer = wx.BoxSizer(wx.HORIZONTAL) 4457 indentSizer.Add((20,-1)) 4458 littleSizer = wx.FlexGridSizer(0,4,5,5) 4449 4459 bravList = [] 4450 4460 bravs = zip(bravais,bravaisNames) … … 4455 4465 bravCk.Bind(wx.EVT_CHECKBOX,OnBravais) 4456 4466 littleSizer.Add(bravCk,0,WACV) 4457 mainSizer.Add(littleSizer,0) 4467 4468 indentSizer.Add(littleSizer,0) 4469 mainSizer.Add(indentSizer,0) 4458 4470 mainSizer.Add((-1,10),0) 4459 4471 … … 4552 4564 littleSizer = wx.FlexGridSizer(0,min(6,useGUI[1]),5,5) 4553 4565 for txt,fmt,ifEdit,Id in useGUI[2]: 4554 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=txt,style=wx.ALIGN_RIGHT)) 4555 # above changed from 4556 # littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=txt,style=wx.ALIGN_RIGHT),0,WACV|wx.ALIGN_RIGHT) 4557 # which can't be valid, but not tested (BHT) 4566 littleSizer.Add(wx.StaticText(G2frame.dataWindow,label=txt,style=wx.ALIGN_RIGHT),0,wx.ALIGN_RIGHT) 4558 4567 if ifEdit: #a,b,c,etc. 4559 cellVal = G2G.ValidatedTxtCtrl(G2frame.dataWindow,controls,6+Id,nDig=fmt,OnLeave=OnCellChange )4568 cellVal = G2G.ValidatedTxtCtrl(G2frame.dataWindow,controls,6+Id,nDig=fmt,OnLeave=OnCellChange,size=(80,-1)) 4560 4569 Info[cellVal.GetId()] = Id 4561 4570 valSizer = wx.BoxSizer(wx.HORIZONTAL) … … 4571 4580 valDict[cellSpin.GetId()] = cellVal 4572 4581 else: #volume 4573 volVal = wx.TextCtrl(G2frame.dataWindow,value=(fmt%(controls[12])),style=wx.TE_READONLY )4582 volVal = wx.TextCtrl(G2frame.dataWindow,value=(fmt%(controls[12])),style=wx.TE_READONLY,size=(80,-1)) 4574 4583 volVal.SetBackgroundColour(VERY_LIGHT_GREY) 4575 4584 littleSizer.Add(volVal,0,WACV) 4576 4585 4586 mainSizer.Add(wx.StaticText(G2frame.dataWindow,label='Unit cell:')) 4577 4587 mainSizer.Add(littleSizer,0) 4578 4588 if ssopt.get('Use',False): #super lattice display -
trunk/help/gsasII-pwdr.html
r4964 r5048 4007 4007 following interactions are available with the peak table: <o:p></o:p></p> 4008 4008 4009 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4010 class=GramE><BL><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4011 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4012 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4013 style='mso-fareast-font-family:"Times New Roman"'> can change individual peak 4009 <UL style='margin-left:0.75in'> 4010 <LI>You 4011 can change individual peak 4014 4012 coefficient values. Enter the value then press Enter or Tab or click the mouse 4015 elsewhere in the Peak List window. This will set the new value. <o:p></o:p></span></p> 4016 4017 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4018 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4019 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4020 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4021 style='mso-fareast-font-family:"Times New Roman"'> can change the individual 4022 refine flags either by clicking on the check boxes. <o:p></o:p></span></p> 4023 4024 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4025 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4026 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4027 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4028 style='mso-fareast-font-family:"Times New Roman"'> can change all refine flags 4013 elsewhere in the Peak List window. This will set the new value. 4014 </LI> 4015 <LI>You 4016 can change the individual 4017 refine flags either by clicking on the check boxes. 4018 </LI> 4019 <LI>You 4020 can change all refine flags 4029 4021 in a column by clicking on a single one and then click on the column label 4030 4022 above. The entire column should be highlighted in blue. Type ‘y’ to set the 4031 4023 refine flags or ‘n’ to clear the flags. This can also be done by 4032 double-clicking on the column label, which brings up a menu. <o:p></o:p></span></p> 4033 4034 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4035 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4036 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4037 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4038 style='mso-fareast-font-family:"Times New Roman"'> can delete peaks in the Peak 4024 double-clicking on the column label, which brings up a menu. 4025 </LI> 4026 <LI>You 4027 can delete peaks in the Peak 4039 4028 List by selecting a row by clicking on the row label to the left (multiple 4040 4029 selection of rows is allowed). Selected rows will be highlighted in the plot 4041 4030 (see below). Then press the Delete or backspace key. (Note that peaks can also 4042 be deleted from the plot, see below.) <o:p></o:p></span></p> 4043 4044 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4045 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4046 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4047 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4048 style='mso-fareast-font-family:"Times New Roman"'> can highlight a peak by 4031 be deleted from the plot, see below.) 4032 </LI> 4033 <LI>You 4034 can highlight a peak by 4049 4035 clicking or double-clicking on the row label (to the left) for a peak. The 4050 color of the line will change from blue to green. </BL><o:p></o:p></span></p> 4036 color of the line will change from blue to green. 4037 </UL> 4051 4038 4052 4039 <p style='margin-left:.75in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'>The 4053 4040 <b>Peak Fitting</b> menu contains the following commands:</p> 4054 4041 4055 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4056 style='mso-fareast-font-family:"Times New Roman"'>Set sel. ref flags<o:p></o:p></span></p> 4057 4058 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4059 style='mso-fareast-font-family:"Times New Roman"'>If one or more row of peaks <span 4042 <DL style='margin-left:1.0in'> 4043 <DT>Set sel. ref flags 4044 <DD>If one or more row of peaks <span 4060 4045 class=GramE>are</span> selected by clicking on the peak label to the left, this 4061 4046 menu item can be used to set the refinement flags for the selected reflections. 4062 <o:p></o:p></span></p> 4063 4064 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4065 style='mso-fareast-font-family:"Times New Roman"'>Set all ref flags<o:p></o:p></span></p> 4066 4067 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4068 style='mso-fareast-font-family:"Times New Roman"'>This sets refinement flags 4069 for all peaks in the table. <o:p></o:p></span></p> 4070 4071 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4072 style='mso-fareast-font-family:"Times New Roman"'>Auto search<o:p></o:p></span></p> 4073 4074 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4075 style='mso-fareast-font-family:"Times New Roman"'>This fills the table with 4047 4048 <DT>Set all ref flags 4049 <DD>This sets refinement flags for all peaks in the table. 4050 4051 <DT> Auto search 4052 <DD> This fills the table with 4076 4053 peak positions. These are selected based on peak tops that are substantially 4077 4054 above background. Noisy data will give spurious peaks and small <span 4078 4055 class=GramE>peaks</span> or shoulders will not be found. Examine results & 4079 modify as needed. <o:p></o:p></span></p> 4080 4081 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4082 class=SpellE><span style='mso-fareast-font-family:"Times New Roman"'>UnDo</span></span><span 4083 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 4084 4085 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4086 style='mso-fareast-font-family:"Times New Roman"'>Resets peak parameters, 4056 modify as needed. 4057 4058 <DT>UnDo 4059 <DD>Resets peak parameters, 4087 4060 background and instrument parameter values varied in the last peak fitting 4088 4061 refinement back to their original values. Use this to recover from a failed 4089 4062 refinement. Note: only one previous refinement is saved, so this cannot be 4090 pressed twice to return to the refinement before the previous. <o:p></o:p></span></p> 4091 4092 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4093 class=SpellE><span style='mso-fareast-font-family:"Times New Roman"'>PeakFit</span></span><span 4094 style='mso-fareast-font-family:"Times New Roman"'><o:p></o:p></span></p> 4095 4096 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4097 style='mso-fareast-font-family:"Times New Roman"'>Performs <span class=GramE>a 4098 least squares</span> fit of the peaks in Peak List to the data. Any peak 4063 pressed twice to return to the refinement before the previous. 4064 4065 <DT>PeakFit 4066 <DD>Performs a least squares fit of the peaks in Peak List to the data. Any peak 4099 4067 parameters, background parameters and instrument parameters with refine checked 4100 4068 will be varied in this refinement. The refinement will proceed until … … 4109 4077 you should use the <span class=SpellE><b>UnDo</b></span> menu item (above) to 4110 4078 return to the refinement and reconsider your choice of parameters to be varied. 4111 <o:p></o:p></span></p> 4112 4113 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4114 style='mso-fareast-font-family:"Times New Roman"'>LSQ one cycle <o:p></o:p></span></p> 4115 4116 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4117 style='mso-fareast-font-family:"Times New Roman"'>Perform a single cycle of 4079 4080 <DT>LSQ one cycle 4081 <DD>Perform a single cycle of 4118 4082 least squares refinement. This can be used in difficult cases to get a 4119 refinement started toward convergence. <o:p></o:p></span></p> 4120 4121 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4122 style='mso-fareast-font-family:"Times New Roman"'>Reset sig and gam <o:p></o:p></span></p> 4123 4124 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4125 style='mso-fareast-font-family:"Times New Roman"'>This resets the values of 4083 refinement started toward convergence. 4084 4085 <DT>Reset sig and gam 4086 <DD>This resets the values of 4126 4087 sigma and gamma in the table to those computed from the instrument parameters 4127 U, V, W, X & Y. <o:p></o:p></span></p> 4128 4129 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4130 style='mso-fareast-font-family:"Times New Roman"'>Peak copy<o:p></o:p></span></p> 4131 4132 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4133 style='mso-fareast-font-family:"Times New Roman"'>Copy the current set of peaks 4134 to other histogram(s) <o:p></o:p></span></p> 4135 4136 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4137 style='mso-fareast-font-family:"Times New Roman"'>Seq <span class=SpellE>PeakFit</span><o:p></o:p></span></p> 4138 4139 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4140 style='mso-fareast-font-family:"Times New Roman"'>Fit peaks for multiple 4141 histograms <o:p></o:p></span></p> 4142 4143 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4144 style='mso-fareast-font-family:"Times New Roman"'>Clear peaks<o:p></o:p></span></p> 4145 4146 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4147 style='mso-fareast-font-family:"Times New Roman"'>This removes all the peaks 4148 from the Peak List. <o:p></o:p></span></p> 4149 4150 <p class=MsoNormal style='margin-left:1.0in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4151 style='mso-fareast-font-family:"Times New Roman"'>Move selected peak<o:p></o:p></span></p> 4152 4153 <p class=MsoNormal style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4154 style='mso-fareast-font-family:"Times New Roman"'>A peak may be moved using the 4088 U, V, W, X & Y. 4089 4090 <DT>Peak copy 4091 <DD>Copy the current set of peaks to other histogram(s) 4092 4093 <DT>Seq PeakFit 4094 <DD>Fit peaks for multiple histograms 4095 4096 <DT>Clear peaks 4097 <DD>This removes all the peaks from the Peak List. 4098 4099 <DT>Move selected peak 4100 <DD>A peak may be moved using the 4155 4101 following process: select it in the table by clicking on its label (to left), 4156 4102 use this menu item. The peak line will then follow movement of the mouse in the … … 4158 4104 the right mouse button to delete that peak. Click outside the axes to abort the 4159 4105 move and return to the previous position. (Note that peak movement is also 4160 possible with the plot window, see below.) <o:p></o:p></span></p> 4161 4106 possible with the plot window, see below.) 4107 </DL> 4108 4162 4109 <h5 style='margin-left:.25in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4163 4110 style='mso-fareast-font-family:"Times New Roman"'>What is plotted here?</span></h5> … … 4180 4127 be used for zooming or panning, not the desired action. </p> 4181 4128 4182 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4183 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4184 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4185 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4186 style='mso-fareast-font-family:"Times New Roman"'> can add peaks to the Peak 4129 <UL style='margin-left:0.75in'> 4130 <LI>You 4131 can add peaks to the Peak 4187 4132 list using the mouse on the plot by: position the cursor pointer onto a cross 4188 4133 for an observed point and pressing the left mouse button. The selected peak … … 4190 4135 and a blue vertical line will be plotted on that position. We recommend that 4191 4136 you begin picking peaks from the right side of the pattern; that way the tool 4192 tip won’t be in your way as you select peaks. <o:p></o:p></span></p> 4193 4194 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4195 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4196 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4197 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4198 style='mso-fareast-font-family:"Times New Roman"'> can delete peaks using the 4137 tip won’t be in your way as you select peaks. 4138 4139 </LI><LI>You 4140 can delete peaks using the 4199 4141 mouse on the plot by positioning the pointer on the blue line for the peak to 4200 4142 be deleted and then pressing the right mouse button. The blue line should <span 4201 4143 class=GramE>vanish</span> and the corresponding peak will be removed from the 4202 Peak List. <o:p></o:p></span></p> 4203 4204 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4205 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4206 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4207 "Times New Roman"'><span style='mso-spacerun:yes'> </span>You</span></span><span 4208 style='mso-fareast-font-family:"Times New Roman"'> can move a Peak List item 4144 Peak List. 4145 4146 </LI><LI>You 4147 can move a Peak List item 4209 4148 using the mouse on the plot by: position the pointer on the blue line for the 4210 4149 peak you wish to move and then hold the left mouse button down, dragging the 4211 4150 line to the desired position. When the mouse button is released, the peak line 4212 will be drawn in the new position. <o:p></o:p></span></p> 4213 4214 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4215 class=GramE><span style='font-family:Symbol;mso-ascii-font-family:"Times New Roman"; 4216 mso-fareast-font-family:"Times New Roman"'>·</span><span style='mso-fareast-font-family: 4217 "Times New Roman"'><span style='mso-spacerun:yes'> </span>The</span></span><span 4218 style='mso-fareast-font-family:"Times New Roman"'> fit limits can be changed 4151 will be drawn in the new position. 4152 4153 </LI><LI>The fit limits can be changed 4219 4154 without selecting the Limits item in the data tree from the plot. Change the 4220 4155 upper and lower <span class=SpellE>Tmin</span> values by clicking on the 4221 appropriate vertical line and dragging it to the right or left. </BL><o:p></o:p></span></p> 4156 appropriate vertical line and dragging it to the right or left. 4157 </UL><P></p> 4222 4158 4223 4159 <h4 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a … … 4368 4304 will be in the <a href="#General">General </a>window for that phase. </p> 4369 4305 4370 <p style='margin-left:. 75in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a4306 <p style='margin-left:.5in;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a 4371 4307 name="Laue_List"><b>GSAS-II Laue classes</b> (note that some redundant entries 4372 4308 are included for convenience.)</a></p> … … 4374 4310 <span style='mso-bookmark:Laue_List'></span> 4375 4311 4376 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4377 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4378 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4379 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4380 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4381 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4382 "Times New Roman"'>Cubic: Fm3m, Im3m & Pm3m <o:p></o:p></span></p> 4383 4384 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4385 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4386 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4387 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4388 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4389 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4390 "Times New Roman"'>Rhombohedral: R3-H (hexagonal axes) <o:p></o:p></span></p> 4391 4392 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4393 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4394 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4395 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4396 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4397 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4398 "Times New Roman"'>Hexagonal: P6/mmm <o:p></o:p></span></p> 4399 4400 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4401 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4402 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4403 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4404 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4405 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4406 "Times New Roman"'>Tetragonal: I4/mmm, P4/mmm <o:p></o:p></span></p> 4407 4408 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4409 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4410 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4411 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4412 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4413 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4414 "Times New Roman"'>Orthorhombic: <span class=SpellE>Fmmm</span>, <span 4312 <UL style='margin-left:0.5in'> 4313 <LI>Cubic: Fm3m, Im3m & Pm3m 4314 <LI>Rhombohedral: R3-H (hexagonal axes) 4315 <LI>Hexagonal: P6/mmm 4316 <LI>Tetragonal: I4/mmm, P4/mmm 4317 <LI>Orthorhombic: <span class=SpellE>Fmmm</span>, <span 4415 4318 class=SpellE>Immm</span>, <span class=SpellE>Ammm</span>, <span class=SpellE>Bmmm</span>, 4416 <span class=SpellE>Cmmm</span>, <span class=SpellE>Pmmm</span> <o:p></o:p></span></p> 4417 4418 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4419 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4420 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4421 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4422 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4423 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4424 "Times New Roman"'>Monoclinic: I2/m, C2/m, P2/m (b-unique) <o:p></o:p></span></p> 4425 4426 <p class=MsoNormal style='mso-margin-top-alt:auto;mso-margin-bottom-alt:auto; 4427 margin-left:.75in;text-indent:-.25in;mso-list:l0 level1 lfo17;tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><![if !supportLists]><span 4428 style='font-size:10.0pt;mso-bidi-font-size:12.0pt;font-family:Symbol; 4429 mso-fareast-font-family:Symbol;mso-bidi-font-family:Symbol'><span 4430 style='mso-list:Ignore'>·<span style='font:7.0pt "Times New Roman"'> 4431 </span></span></span><![endif]><span dir=LTR></span><span style='mso-fareast-font-family: 4432 "Times New Roman"'>Triclinic: P1, C1 <o:p></o:p></span></p> 4319 <span class=SpellE>Cmmm</span>, <span class=SpellE>Pmmm</span> 4320 <LI>Monoclinic: I2/m, C2/m, P2/m (b-unique) 4321 <LI>Triclinic: P1, C1 4322 </UL> 4323 <o:p></o:p></span></p> 4433 4324 4434 4325 <h4 style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><a … … 4491 4382 4492 4383 <p class=MsoNormal style='tab-stops:45.8pt 91.6pt 137.4pt 183.2pt 229.0pt 274.8pt 320.6pt 366.4pt 412.2pt 458.0pt 503.8pt 549.6pt 595.4pt 641.2pt 687.0pt 732.8pt'><span 4493 style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last modified: 4494 Tue Apr 27 22:21:15 CDT 2021 <!-- hhmts end --><o:p></o:p></span></p> 4384 style='mso-fareast-font-family:"Times New Roman"'><!-- hhmts start -->Last modified: Fri Oct 15 20:42:20 CDT 2021 <!-- hhmts end --><o:p></o:p></span></p> 4495 4385 4496 4386 </div>
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