[RMCProfile-users] Bug in data2config
Henrik Mauroy
hmauroy at gmail.com
Wed Apr 29 13:43:55 BST 2015
Hi everyone.
I'm not sure why, but there seems to be a bug in data2config when
creating configuration files from GSAS. In the file .inst the histogram
number is set to 1 for the first bank imported into GSAS even though
this bank's number is something different, e.g. bank no 4. In the older
v2.3k data2config this works like it should.
This number should be identical to the second number in .bragg, or else
RMCprofile complains: "Bank not found".
Maybe a fix to this should be implemented into data2config, or the
RMCprofile manual should have a section about checking if these two
numbers are equal? Optionally the user can decide on which bank should
be used in the Bragg-fitting if more than one bank is exported from GSAS.
Best regards,
Henrik Mauroy
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