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LIMS-1515: Add energy value to data collections#853

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Nov 12, 2024
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LIMS-1515: Add energy value to data collections#853
ndg63276 merged 2 commits into
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improvement/LIMS-1515/add-energy-to-data-collections

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@ndg63276 ndg63276 commented Nov 1, 2024

JIRA ticket: LIMS-1515

Summary:

Currently only wavelength is displayed in Synchweb for most data collection types, we should show energy in eV as well.

Changes:

  • Define the eV/A conversion factor (value from https://en.wikipedia.org/wiki/Electronvolt#Wavelength)
  • Add return values to the _data_collections function for the energy in eV, and also the wavelength in A for MCA spectra and peak (wpk) and inflection (win) wavelengths for edge scans
  • Add labels to a few more columns, these are redundant as the union will use the labels from the first select statement, but help to identify where values are coming from
  • Return energies to 0 decimal places and wavelengths to 4 decimal places, except for edge scan results which have 1 and 5 respectively (these are results so more precision is needed)
  • Display these values, taking conversion factor out of the JS
  • Make the edge scan filename a double width column, so that E(peak) is displayed next to the peak f''/f' results, and the same for E(inflection). Cut all f''/f' values to 2 decimal places.

To test:

  • View a standard data collection (eg /dc/visit/cm37235-4/id/15542386), check the wavelength and energy are displayed as Wavelength: 0.9537Å (13,000eV)
  • View a grid scan (eg /dc/visit/cm37235-4/id/15542377), check the wavelength and energy are displayed as Wavelength: 0.9537Å (13,000eV)
  • View an MCA spectrum (eg /dc/visit/cm37235-4/ty/mca/id/15813), check the energy is displayed as Energy: 18,000eV (0.6888Å)
  • View an edge scan (eg /dc/visit/cm37235-4/ty/edge/id/61197), check:
    • energies have 1 decimal place, wavelengths have 5 decimal places
    • f''/f' values have 2 decimal places, and e- as units
    • peak f''/f' is displayed next to peak energy, inflection f''/f' is displayed next to inflection energy, ie
      image

Comment thread api/src/Page/DC.php Outdated
@ndg63276 ndg63276 changed the base branch from master to pre-release/2024-R5.2 November 12, 2024 10:03
@ndg63276 ndg63276 merged commit d19fb86 into pre-release/2024-R5.2 Nov 12, 2024
@ndg63276 ndg63276 deleted the improvement/LIMS-1515/add-energy-to-data-collections branch November 12, 2024 10:06
ndg63276 added a commit that referenced this pull request Dec 16, 2024
…882)

* LIMS-1498: Change name of processed data archive (#855)

* LIMS-1469: Fix download button on old summary page (#840)

* LIMS-1463: Always display Mesh3D data collections as grid scans (#845)

* LIMS-1515: Add energy value to data collections (#853)

* LIMS-261: Allow download of PDB files (#857)

* LIMS-1529: Fix fast ep model viewer (#858)

* LIMS-753: Allow LN2 topups as part of dewar history (#856)

* LIMS-1530: Add To Queue Fails when Not Completed filter applied (#864)

* LIMS-1530: Add To Queue Fails when Not Completed filter applied

* LIMS-1552: Remove old jquery (#871)

* LIMS-1500: Set the dispatch request email recipients based on the dewar barcode (#848)

* LIMS-1458: Fix GitHub warnings (#841)

---------

Co-authored-by: Mark Williams <mark.williams@diamond.ac.uk>
Co-authored-by: Guilherme Francisco <guilherme.de-freitas@diamond.ac.uk>
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