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xraypy / xraylarch

Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.
https://xraypy.github.io/xraylarch
MIT License
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multiple datasets fitting using feffit #497

Closed Cathyhjj closed 9 months ago

Cathyhjj commented 9 months ago

I noticed that when fitting multiple datasets using feffit in Jupyter notebook, for example result = feffit(pars_all, [dset1, dset2, dset3]), it only varies params for the last dataset, i.e., dset3, even though I set vary=True for corresponding paths' params used by dset 1 & dset2.

It looks like result = feffit(pars_all, [dset1, dset2, dset3], fix_unused_variables=False) may help fix this issue and fit all the parameters? But this may be a little bit confusing to me..

newville commented 9 months ago

@Cathyhjj I think this might be working better in the sorry-not-yet-released version (I'm on work travel, and also trying to get many of the requests from you, Shelly, and George ;) ).

Can you try installing the development version with python -m pip install https://millenia.cars.aps.anl.gov/xraylarch/downloads/xraylarch-latest-py3-none-any.whl

and trying that?

Cathyhjj commented 9 months ago

The new dev version (https://millenia.cars.aps.anl.gov/xraylarch/downloads/xraylarch-latest-py3-none-any.whl) solves the issue! Thank you!

I just realized that you actually have feffit.py fixed and updated on Github last month.. My bad :), next time will try to upgrade my version first before opening a ticket