Open marshallmcdonnell opened 7 years ago
UPDATE: We have the info from ONCat now with #133 addition
Would like to take the chemical formula display and expand on it:
At top would be a "Input Chemical Formula" or "Define Material or Sample"
Then, as we have in the ONCat UI where we do filtering, have a tab/toolbox below that shows information for the material (scattering lengths, partial weighting, absorption, etc.)
Will need the following information:
Create a tool (in the Tool drop-down from the Menu bar) that we can use to get information given the chemical formula of the material and the composition. Information output would include:
1) The upper-triagonal matrix of the n x n product of the elements' scattering lenghts (b_i*b_j). Essentially, endcode Matt's GEMM sheet into python and add a view of the matrix. There could be information for both neutron and x-ray values.
2) Also, given absorbance and possible resonance information. Could even show what banks the resonance would show up in on NOMAD.
3) Given a *.cif file of the sample, we could have Dan help generate what the NOMAD PDF/G(r)/g(r)/D(r)/T(r)/R(r)/catdog(r) would look like on.
This tool would be useful during reduction but also during the planning of an experiment proposal. We could see the weight of what we would see and generate the plots we expect to see.