[srrietveld bug] will not run a *.raw data file - this file can be used in a successful GSAS refinement
dif...@diffpy.org
summary: will not run a *.raw data file - this file can be used in a successful GSAS refinement
description: Tried to use a file *.raw with the following beginning:
BlahBlah
BANK 1 2423 242 CONST 1003.67 3.30 0.0 0.0 STD
5527 5482 5380 5316 5384 5343 5370 5279 5388 5295
5333 5224 5194 5206 5262 5145 5148 5161 5147 5129
5067 5129 5085 5001 5042 5019 4982 4992 5009 4962
4819 4722 4687 4760 4826 4773 4806 4834 4765 4738
This data file was successfully used in a refinement. The *.exp file that was used for the refinement, was subsequently used to set up the SrRietveld refinement. However, when I try to start a refinement after pulling in the data with a *.info file, I get this error message.
component: srrietveld
version: 1.0beta-r5972-20101104
traceback:
Traceback (most recent call last):
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\gui\errorwrapper.py", line 61, in _f
return func(*args, **kwargs)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\gui\mainframe.py", line 1248, in onIdle
if job.runSingleStep():
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\job.py", line 149, in runSingleStep
isLastStep = fitrt.run(isStrategyEnabled = GLOBALS.isStrategyEnabled)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\fitrt.py", line 102, in run
if self.prepare():
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\fitrt.py", line 199, in prepare
self.prepareFiles(enginename, pattern)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\fitrt.py", line 244, in prepareFiles
dfc.toGSASFile(fullpath, os.path.join(self.tempDir, filename), 1)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\addon\datafile.py", line 134, in toGSASFile
outlines = self.writeGSASStr(bankid)
File "C:\SrRietveld\Python26\lib\site-packages\diffpy.srrietveld-1.0beta_r5972_20101104-py2.6.egg\diffpy\srrietveld\addon\datafile.py", line 184, in writeGSASStr
tth0_cdg = datadict["x"][0] * 100
IndexError: list index out of range