Paul Kienzle
Paul Kienzle
I assert that this patch is my own work, and to [simplify the licensing of the BFG Repo-Cleaner](https://github.com/rtyley/bfg-repo-cleaner/blob/master/CONTRIBUTING.md#pull-requests): _(choose 1 of these 2 options)_ - [ ] I assign the...
Check for more recent versions of the neutron cross sections in the literature. For example: * Hannon (2018) give Ir-191 and Ir-193 not present in the ATI tables. DOI: 10.1107/S1600576718006064...
The [mhchem](https://mhchem.github.io/MathJax-mhchem/) package used by mediawiki and stackexchange uses a similar ascii chemical formula language to the one used by periodictable. Adjust the formula parser to accept mhchem syntax or...
We could parse formulas with subscripts for count and superscripts for isotope (for example, ⁵⁸NiCl₂⋅6H₂O). Charge makes the parser slightly more complicated (O²⁻ or O⁻⁻). Unicode doesn't guarantee proper kerning...
The simplistic model SLD is unable to calculate the total scattering cross sections for H₂O and D₂O. See for example [Damián, *et al*, 2013](https://doi.org/10.1016/j.anucene.2013.11.014) for more accurate results. Consider tabulating...
Results for fasta sequence sld estimates differ from those for the [Bio SLD calculator](http://psldc.isis.rl.ac.uk/Psldc/). See https://github.com/SasView/sasmeta/issues/3
The isotopic composition values were updated in 2009. See: [IUPAC report](https://www.degruyter.com/document/doi/10.1351/PAC-REP-10-06-02/html) linked from [NIST mass and composition tables](https://www.nist.gov/pml/atomic-weights-and-isotopic-compositions-relative-atomic-masses).
Incoherent scattering is not computed for energy dependent isotopes. See #39.
Currently the mixture grammar, e.g. `10%vol [email protected] // H2O@1` does not allow a percentage to be specified for the final component: `10%vol [email protected] // 90% H2O@1` even though all percentages...