diff --git a/GSASII/GSASIIpwd.py b/GSASII/GSASIIpwd.py index 23926715..68117e91 100644 --- a/GSASII/GSASIIpwd.py +++ b/GSASII/GSASIIpwd.py @@ -3578,7 +3578,7 @@ def MakeRMCPdat(PWDdata,Name,Phase,RMCPdict): fl.write(' > FITTED_SCALE\n') else: fl.write(' > NO_FITTED_SCALE\n') - if Files[File][3] !='RMC': + if Files[File][3] !='RMC' and "PDF" not in Files[File][3]: fl.write(' > %s\n'%Files[File][3]) if 'reciprocal' in File: fl.write(' > CONVOLVE ::\n') diff --git a/GSASII/GSASIIrmcGUI.py b/GSASII/GSASIIrmcGUI.py index 770650d6..e872eaee 100644 --- a/GSASII/GSASIIrmcGUI.py +++ b/GSASII/GSASIIrmcGUI.py @@ -263,8 +263,21 @@ def OnFileFormat(event): fil = Indx[Obj.GetId()] Fmt = Obj.GetStringSelection() RMCPdict['files'][fil][3] = Fmt - if 'PDF' in Fmt: - RMCPdict['files'][fil][2] = 'G(r)P' + if "G(r)" in fil: + if 'PDF' in Fmt: + RMCPdict['files'][fil][2] = 'G(r)P' + else: + RMCPdict['files'][fil][2] = 'G(r)' + elif "F(Q)" in fil: + if "NEUTRON" in fil.upper(): + if 'PDF' in Fmt: + RMCPdict['files'][fil][2] = 'QF(Q) normalized' + else: + RMCPdict['files'][fil][2] = 'F(Q)' + else: + RMCPdict['files'][fil][2] = 'F(Q)' + else: + RMCPdict['files'][fil][2] = 'S(Q)' def OnPlotBtn(event): Obj = event.GetEventObject() @@ -349,7 +362,7 @@ def OnSeqReverse(event): mainSizer.Add(topSizer) Heads = ['Name','File','type','Plot','Delete'] fileSizer = wx.FlexGridSizer(5,5,5) - Formats = ['RMC','GUDRUN','STOG','PDFGET'] + Formats = ['RMC','GUDRUN','PDFGET'] for head in Heads: fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV) for fil in RMCPdict['files']: @@ -538,7 +551,7 @@ def OnSetVal(event): # RMCProfile & PDFfit (Normal) Heads = ['Name','File','Format','Weight','Plot','Delete'] fileSizer = wx.FlexGridSizer(6,5,5) - Formats = ['RMC','GUDRUN','STOG','PDFGET'] + Formats = ['RMC','GUDRUN','PDFGET'] for head in Heads: fileSizer.Add(wx.StaticText(G2frame.FRMC,label=head),0,WACV) for fil in RMCPdict['files']: