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Improve documentation for SLD calculator #2689

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krzywon opened this issue Dec 14, 2023 · 1 comment · Fixed by #2785
Closed

Improve documentation for SLD calculator #2689

krzywon opened this issue Dec 14, 2023 · 1 comment · Fixed by #2785
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Documentation Concerns documentation Enhancement Feature requests and/or general improvements Good First Issue Issues that are appropriate for newbies

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@krzywon
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krzywon commented Dec 14, 2023

Is your feature request related to a problem? Please describe.
The documentation for the SLD calculator is a bit thin and could benefit with more use cases that are allowed by the periodictable package.

Describe the solution you'd like
The NIST Activation and Scattering Calculator has extensive documentation that would be easy to integrate.

Additional context
A few useful cases not covered in our documentation but covered in the online calculator:

  • Mass and isotopic densities in the chemical formulas (H2O@1 -or- D2O@1n)
  • Mole and mass fractions (78.2H2O[16] + 21.8H2O[18] -or- 50%wt Co // Ti)
  • Biomacromolecules ("code:sequence" where code can be 'aa', 'dna', or 'rna' e.g. aa:RELEELNVPGEIVESLSSSEESITRINKKIEKFQSEEQQQTEDELQDKIHPFAQTQSLVYPFPGPIPNSLPQNIPPLTQTPVVVPPFLQPEVMGVSKVKEAMAPKHKEMPFPKYPVEPFTESQSLTLTDVENLHLPLPLLQSWMHQPHQPLPPTVMFPPQSVLSLSQSKVLPVPQKAVPYPQRDMPIQAFLLYQEPVLGPVRGPFPIIV)

This came from a discussion with @katieweigandt

@krzywon krzywon added Enhancement Feature requests and/or general improvements Documentation Concerns documentation Good First Issue Issues that are appropriate for newbies labels Dec 14, 2023
@butlerpd
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It may be useful to point to the online periodictable documentation on readthedocs.io https://periodictable.readthedocs.io/en/latest/.

Also do these get too esoteric? and would it be useful to eventually provide a better GUI interface for some of the most common use cases such as mass fraction compositions?

This originated from a discussion with David Amelemah at the University of Sydney

@katieweigandt katieweigandt linked a pull request Jan 22, 2024 that will close this issue
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butlerpd added a commit that referenced this issue Mar 11, 2024
…sld-calculator

Update of the sld calculator documentation. Fixes #2689.
@krzywon krzywon closed this as completed Mar 12, 2024
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