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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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XAS Linear Combo issue: "Save Statistics Report for All Fitted Groups" does not save all fits properly #532

Open mrvejar opened 1 month ago

mrvejar commented 1 month ago

When attempting to save LCF results as "Save Statistics Report for All Fitted Groups" for multiple datasets, the resulting CSV does not contain the appropriate components and/or contributions; it seems like it only reports ~9 components from all the dataset fits. For example, a dataset used resulted in fits with 20 components for 6 samples, but the CSV Report only lists 9 of the components. The chi-sq and other statistical values are those in the best fit for each dataset, but the components and their contributions are not those that come from the statistical values in the report. Please let me know if I can provide any useful info about this issue. Thank you!

LinearFitStats.csv image

newville commented 1 month ago

@mrvejar Hm, not sure... sending a session file would be helpful.

mrvejar commented 1 month ago

I can do that! I will send a session file via email, since that file format is not supported here.