PyHDX
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Jhsmit
Derive ΔG for single residues from HDX-MS data
When using discrete colors, the default color should be from glasbay catecorical (colorcet)
- Alignment information should be saved alongside `hdxm_set` if available - kwarg option should be available for at least ddG figures to use alignment information
If the hessian/jacobian is nonsingular, return NaN instead of raising an error
Performance is poor when using `pyhdx.fileIO.load_fitresult` to load a previous fit result. This is because of the methods `generate_output` and `estimate_errors` are invoked, although this results are known so this...
https://pyhdx.readthedocs.io/en/latest/examples/03_fitting.html 
The c term residue is calculated to have much lower intrinsic rate of exchange (factor 1e3) than the preceding residue. This can cause outlying ΔG values in fit results
Enable setting of log dir in config Enable logging on/off from config
https://www.certara.com/2011/07/06/what-is-curve-stripping/?ap=&UTM_LeadSource=
Exchange behavior of deuterium is typically not mono-exponential but rather a stretched exponential. See Nyugen, 2018 and Fajer, Journal of The American Society for Mass Spectrometry volume 23, pages1202–1208(2012)
See Masson 2019 - HDX time course - Back exchange - Number of peptides - sequence coverage - Average peptide length/redundancy - replicates - repeatability - significant differnences