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LIMS-538: Remove the 'Centring Method' column from creating an MX container#908

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ndg63276 merged 1 commit intopre-release/2025-R2.1from
improvement/LIMS-538/remove-centring-method-column
Mar 11, 2025
Merged

LIMS-538: Remove the 'Centring Method' column from creating an MX container#908
ndg63276 merged 1 commit intopre-release/2025-R2.1from
improvement/LIMS-538/remove-centring-method-column

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JIRA ticket: LIMS-538

Summary:

We no longer need users to select between optical and diffraction-based centring. We can leave that field as NULL and agamemnon will always default to diffraction. XChem users can choose optical centring via the CSV uploader if so desired.
I have also added a column for the sample SMILES code as that can be used in processing going forward.

Changes:

  • Remove Centring Method column from the UDC tab
  • Add SMILES Code column to the Extra Fields tab, with regex validation
  • Make 'Stepped transmission' experiment kind only available to staff
  • Only allow energies above 1501eV, to avoid confusion between eV and keV

To test:

  • Go to a proposal (eg mx23694), make a new shipment
  • Make a new container, check the Centring Method column is not displayed on the UDC tab
  • Check the SMILES code column appears on the extra fields tab, and allows letters, numbers, some punctuation (.-=#$:/) but not others (eg £)
  • Check the energy field only allows values greater than 1501 eV
  • Check once you create a container, a new 'Create Container' page is shown, with all the fields put back to blank
  • Check you can edit the samples in a container once it has been created, notably the SMILES code field
  • Check in the database that the DiffractionPlan.centringMethod field is NULL, and the BLSample.SMILES field is set correctly
  • Check both Centring Method and SMILES code can be edited by viewing an individual sample

@gfrn gfrn self-requested a review March 3, 2025 13:28
@ndg63276 ndg63276 changed the base branch from master to pre-release/2025-R2.1 March 11, 2025 14:21
@ndg63276 ndg63276 merged commit 054f24a into pre-release/2025-R2.1 Mar 11, 2025
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ndg63276 added a commit that referenced this pull request Mar 25, 2025
* LIMS-1646: Show 'Use Facility Account' button for EU dewar dispatch (#910)

* LIMS-1622: Add units and decimal places to visit summary page (#911)

* LIMS-1605: Remove jquery-touchswipe library (#895)

* LIMS-1496: Fix offset grid scan heatmaps in Safari (#896)

* LIMS-1389 - Add upload to ccp4 cloud button (#901)

* LIMS-538: Remove the 'Centring Method' column from creating an MX container (#908)

* LIMS-128: Add plate view to queue container page (#900)
@ndg63276 ndg63276 deleted the improvement/LIMS-538/remove-centring-method-column branch April 22, 2025 08:51
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2 participants