I'm pretty sure it's possible to implement these as part of the scripting functions, but have yet to try these out. I've added an InstrumentParameter folder in Example Data with the intensity vs 2theta value (.csv), LaB6 .cif file, as well as two .gpx files I've used for this process.
2) Extra feature that we'll probably need David's help with. When one does the calibration process, there's fit uncertainty in the instrument parameters. But that uncertainty is dropped when the instrument parameter file is created. I'd like to develop some way of sorting/using the calibration uncertainty.
This might be something to prototype first by manually changing the values in the instrument parameter file within the fit range and see if they affect the phase fraction values. The calibration tutorial implies that the values fit are all about the width of the peaks which shouldn't directly affect the area under the peaks. I have a feeling they might anyway, but no idea if it's a major factor...
1) Add a tab that creates an instrument parameter file.
When I created the instrument parameter files, I followed the tutorial at: https://subversion.xray.aps.anl.gov/pyGSAS/Tutorials/CWInstDemo/FindProfParamCW.htm
I'm pretty sure it's possible to implement these as part of the scripting functions, but have yet to try these out. I've added an InstrumentParameter folder in Example Data with the intensity vs 2theta value (.csv), LaB6 .cif file, as well as two .gpx files I've used for this process.
2) Extra feature that we'll probably need David's help with. When one does the calibration process, there's fit uncertainty in the instrument parameters. But that uncertainty is dropped when the instrument parameter file is created. I'd like to develop some way of sorting/using the calibration uncertainty.
This might be something to prototype first by manually changing the values in the instrument parameter file within the fit range and see if they affect the phase fraction values. The calibration tutorial implies that the values fit are all about the width of the peaks which shouldn't directly affect the area under the peaks. I have a feeling they might anyway, but no idea if it's a major factor...