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New/Updated Centroiding Methods

Benjamin van Kuiken requested to merge hrixs_jan23 into master

Updated the current toolbox hRIXS.py to include double hits. Two algorithms are available for centroiding. These are controlled by the 'method' parameter which can be chosen to be 'auto' or 'manual' which refers to the thresholds used determining whether that has been a photon detected. The auto method uses the thresholds determined from the incident photon energy as done in the ESRF RIXSToolBox. The manual method relies of the STD_THRESHOLD that is set to 3.5 by default in the toolbox. The 'nrj' is now read from the data file by default to support "auto" as the default method.

The attached notebook gives a comparison of a run from commissioing 2022 processed using the two different centroiding algorithms as well as the integration method. This was a dilute sample, but it can be seen that the methods produce spectra of nearly identical quality with the chosen run. The only difference is the ratio of elastic line to inelastic features.

Centroiding_Algorithms.ipynb

@merzoni @teichman

Edited by Benjamin van Kuiken

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