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ENH: XES Analysis Wishlist for smalldata #180

@fredericpoitevin

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@fredericpoitevin

Margaret Doyle is super happy with the new smalldata feature in the eLog to look at XE spectrometer alignment and is interested in integrating her whole analysis workflow. I put her wishlist below - one idea could be to create sub-issues from each item when starting to work on it, and close with the corresponding PR.

  • Ability to average multiple runs together before displaying images in the XES - epix_1 tab. Users can group these runs together however they see fit, I could see us grouping batches of sample together or alternatively grouping sample conditions (flash states for PS II collected across different batches) together.
  • Ability to compute the FWHM and peak position of spatial projection - so we can quickly quantitatively compare focus every time we do alignment
  • Ability to throw a flag or warning to user if COM of spatial projection drifts or changes significantly relative to average
  • Also throw a flag if additional strong peaks in spatial projection begin showing up
  • Can the dynamically updated x-axis for energy projection not be coupled with the spatial projection x-axis? Do not want them to share x-axis. BUG: fix axes for XES epix_1 panel tab #181
  • Ability to include energy calibrated axis so we display spectrum on energy axis instead of pixel. I can provide function we use for this
  • Ability to plot the energy dispersive spectrum from two 'batches' (averaged over N runs) on top of each other in the same plot
    • Ability to display the difference spectrum computed between these two spectra
  • Ability to do a background subtraction from the energy dispersive spectrum
  • Automatic triggering of summary plots
  • Ability to compute First Moment/ COM of spectra
  • Ability to construct a scatter plot of the First Moment / COM computed from different 'batches' or 'groupings' on a plot (I can send an example)
  • Ability to toggle between different detector images / projections for the same run but with different event codes (event codes are not used widely by our group tbh but I could see it being useful in certain scenarios)
  • Ability to rotate the image before summing to get crispier spectra

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