[GSAS-II] Can Parameters be restricted?

Dear all is there a way to restrict fitted parameters to a certain range? For example restrict site occupancies to positive numbers or to a range such as 0.9-1.0? thanks for any help -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092

[GSAS-II] Cancelling refinements crashes

can provide to help with debugging? gruss -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key: 0x515E30C7 Switzerland h

[GSAS-II] Scaling error in plot of powder patterns after pressing 's'

l scale. The issue might have been introduced by revision 2479 -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key: 0x515E30C7

[GSAS-II] suggested patch

ber of the sequence? Maybe PrintCovMatrix() should go to GSASIIstrIO.py? gruss -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key:

[GSAS-II] constain combining Scale and Afrac

i.e. no X-ray amorphous Pt clusters are present). At present (Rev 2493) this does not seem to be possible and I try to manually set the correct Pt4+ occupancy. This is rather tedious iteration process. Could this be implemented in GSASII or is my analysis faulted? Thanks for any suggestions -

Re: [GSAS-II] HDF5 reader

.anl.gov > https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii > -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key

[GSAS-II] wrong intensities in calculated speactrum

Platform:linux2 64bit x86_64 This is GSAS-II revision 3135 -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen gnupg key: 0x515E30C7

Re: [GSAS-II] wrong intensities in calculated speactrum

Dear all thanks for the help. Yes it was the wrong origin. On 20.10.2017 14:47, Ivo Alxneit wrote: > Dear all > > I am trying to fit my diamond standard. The pattern shows 111, 220, and > 311. In the fitted pattern I see the 222 reflection (I100 about 2) that > is forbidden and

[GSAS-II] BUG report: error thrown in refinement

2 numpy: 1.13.3 scipy: 0.19.1 OpenGL: 3.1.1a1 PIL.Image: 1.1.7 Platform:linux2 64bit x86_64 This is GSAS-II revision 3135 The .gpx file is available at https://app.box.com/s/0x82g4nkspwnwstjyb3g3raz9hbyvc4f greetings -- Dr. Ivo Alxneit Catalysis for E

[GSAS-II] Workflow optimization

1.0.0 OpenGL: 3.1.1a1 PIL.Image: 1.1.7 Platform: linux264bitx86_64 This is GSAS-II revision 3149 GLib-GIO-Message: Using the 'memory' GSettings backend. Your settings will not be saved or shared with other applications. -- Dr. Ivo Alxneit Catalysis for Energy Group Bioe

[GSAS-II] proposed patch

"Plot_Size"), initially set to the default of provided by wx-windows. regards -- Dr. Ivo Alxneit Catalysis for Energy Group Bioenergy and Catalysis Laboratoryphone: +41 56 310 4092 Paul Scherrer Institute fax: +41 56 310 2688 CH-5232 Villigen g

[GSAS-II] BUG: wrong filename used for export

Dear all From the main menu Export -> Powder data as -> csv PROJECT_NAME.csv is suggested in file selection box. Keep suggestion or insert your own name export is performed to HISTOGRAM_NAME.csv in both cases. GSAS V3217 on Ubuntu 64 bit -- Dr. Ivo Alxneit Catalysis for Energy