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Hello, I wonder if there is a method of self-defining the percentage of the grain in the crystal, and simulating the forward model of XRD?
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Here are several PDBs of the human adenosine receptor ADORA2 bound to various ligands, made using X-ray crystallography:
https://tinyurl.com/yc7bckxx (links to rcsb.org).
Have to come up with a …
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The `lp` column in the reflection table contains contributions from both the Lorentz correction and the polarization correction. When we process electron diffraction datasets **kinematically**, we nee…
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The PaNET term for GIXD (http://purl.org/pan-science/PaNET/PaNET01161) is missing a definition and definition source.
We could consider the definition at: https://www.diamond.ac.uk/Instruments/Tech…
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https://github.com/Universite-Gustave-Eiffel/NoiseModelling/blob/4.X/noisemodelling-pathfinder/src/main/java/org/noise_planet/noisemodelling/pathfinder/ComputeCnossosRays.java#L1219
computeFreeFiel…
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The ontology includes a (low) amount of in-situ techniques, namely ‘in-situ diffraction’ and ‘in-situ surface diffraction’. I have several questions/issues on that:
1. This list is currently not comp…
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Excuse my ignorance but for the same reason I opened #90, I'd like to attach a technique to the [CXIDB database listed here](https://leaps-wg3.desy.de/open-data-resources.html) and am not sure what is…
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A question: how granular do we want to get in terms of drilling down into detailed aspects of each term? I.e. an x-ray diffraction pattern is associated with an instrument and its settings (x-ray wave…
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## *Repository Creation Request*
Use this to get your experiment repository created or updated on GitHub under Virtual Labs organization.
1. #### Coordinating Institute: IIT Kanpur
2. #### Appr…
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(Apologies in advance if the title isn't quite right - please edit as required!)
As discussed on Slack [here](https://obo-communitygroup.slack.com/archives/C01BTR3E8CU/p1699527249831889), I have ex…