Hi,
This problem "Python.exe has stopped working" was becoming more frequent and annoying. Recently I found its solution that I want to share: I noticed that this problem happens only on my Windows 8 x64 machine. So probably it was due to some problem with Python installation. I removed EPD Canopy and installed Python 2.7.8 from https://www.python.org/downloads/ And then installed following Libs (most of these are available at http://www.lfd.uci.edu/~gohlke/pythonlibs/) compatible with Python 2.7 WxPython Matplotlib NumPy SciPy PyOpenGL Python Imaging Library dateutil pytz pyparsing six last four libraries are probably required to run NumPy and Matplotlib properly. Rerun the GSAS2 and problem solved :) Regards, /Shoaib From: Robert Von Dreele [mailto:vondre...@aps.anl.gov] Sent: Friday, July 18, 2014 5:37 AM To: Shoaib Muhammad Subject: Re: RE: [GSAS-II] Calculating Particle size and Strain in GSAS2 Shoaib, I can't seem to reproduce your error, but will keep trying. If you want to save the strain/size surface plot, use the Save button (looks like an old diskette) at the bottom of the plot. The export/image is for 2-D images. Bob Von Dreele On 7/17/2014 3:20 PM, Shoaib Muhammad wrote: Thanks for your detailed reply. I am perusing to record HRPD pattern of LaB6 and will try to calculate "Instrument Parameters" from that pattern. For question 5, I have performed a quick refinement in GSAS2 and attached the gpx file. For simplicity I have selected isotropic size and strain model. If I click on "Mustrain" or "Size" in Phases/Data tab, I can see a nice sphere in Plot window. If I now run the refinement while "Mustrain" or "Size" is selected, refinement will proceed but after refinement if I again come to data tab after running refinement I will get error "Python has stopped working" and this file will not open again. If I try to open it, I will get the same error. In the export menu if I select Export/Image Data as, I will get notice that, "Project does not contain image" although isotropic strain model is visible in plot window. GPX file is attached and I am using Windows 8.1 64bit edition. Thanks, /Shoab From: Toby, Brian H. [mailto:t...@anl.gov] Sent: Wednesday, July 16, 2014 3:20 AM To: Shoaib Muhammad Cc: gsas-ii@mailman.aps.anl.gov <mailto:gsas-ii@mailman.aps.anl.gov> Subject: Re: [GSAS-II] Calculating Particle size and Strain in GSAS2 Shoaib, Let me answer your e-mail as best as I can. First of all, you must accurately determine the instrument response terms for the specific instrument that you used and as set up for your experiment to get accurate site/microstress estimates. Remember that you are measuring the extra broadening from your sample, so you must know what your instrument is doing before you can know what broadening is "extra". On Jul 14, 2014, at 11:51 PM, Shoaib Muhammad <mshoai...@gmail.com <mailto:mshoai...@gmail.com> > wrote: it. Instrument parameter file was supposed to be used in Fullprof and has the following text: "Myresolution function 0.000030 0.000050 0.000110 0 0 0" I am not sure how to convert widths but I know this is covered in "Typical values of Rietveld instrument profile coefficients" by James A. Kaduk and Joel Reid, Powder Diffraction <http://journals.cambridge.org/action/displayJournal?jid=PDJ> / Volume 26 / Issue 01 / March 2011, pp 88-93 (http://dx.doi.org/10.1154/1.3548128). I would still recommend collecting and fitting data with a standard [NIST SRM 660(-,a,b) is a good choice, but anything with minimal broadening would do] collected under the same conditions as your sample. 1- In old GSAS there were couple of Peak profile function like "Pseudo Voith" and may be Pearson VII also. How can I select/refine these peak Profile functions in GSAS2? GSAS-II has only one profile function and it works. It is a Pseudo-Voigt (sum of Gaussian & Lorentzian; a real Voigt is the convolution, BTW). 2- Is it correct to fix U,V,W, X,Y in GSAS2 in-order to calculate "Crystal Size" and "Microstrain"? Yes, you must know the first 5 terms. 3- Can I refine "Crystal Size" and "Microstrain" together? Yes, if needed and your range of data is large enough. Note that GSAS-II allows for either or both to be anisotropic with either a preferred direction (recommended) or a full expansion. 4- What does it mean by LGmin check box in Profile/Data tab? Microstrain (aka residual stress) and crystallite broadening is usually Lorentzian (LGmin = 1.0) but can have a Gaussian component (LGmin=0 is pure Gaussian). You can refine this and see if the result is reasonable (0 <= LGmin <= 1) and gives a better fit. 5- How to export the strain data to plot the image? I selected Mustrain plot type, I can see the preview in plot window but can't export data. If Mustrain is selected and I run the refinement, GSAS2 quits and I can't open this file again. It always say "Python stopped working". The strain data are the coefficients you get, but you should be able to export the plot if you want. Please provide a lot more details on your computer and exactly what you are doing, as well as a GPX file if you want us to debug this. Brian
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