I'm performing a LeBail fit to extract peak locations. The refinement was fairly successful, but I've run into three issues with the 'Reflection Lists' tab.
Issues: 1) I can't copy from this pane in GSAS-II. I would like to be able to. 2) I can export the data using 'Export HKLs', but the headers are different between what's shown on the screen and exported to file. It seems like there is more information in the pane than in the exported file In the GSAS-II pane, I see the following headers: H, K, L, mul, d, pos, sig, gam, Fosq, Fcsq, phase, Icorr, alp, bet, wave, Prfo, Abs, Ext, I100 In the export file, I have a slightly different list: h, k, l, m, d-space, TOF, wid, Fo**2, Fc**2, Icorr, Prfo, Trans, ExtP, I100 3) I can use context to guess the meaning of most of these, but adding the definitions to the help site (https://subversion.xray.aps.anl.gov/pyGSAS/trunk/help/gsasII.html#PWDR) under 'Reflection Lists' would be appreciated. Dr. Adam Creuziger National Institute of Standards and Technology (NIST) Gaithersburg, MD USA 20899.8553 Office 301-975-6015 [email protected]<mailto:[email protected]>
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