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Generate documentation skeleton for individual MFAssignR functions #182

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hechth opened this issue Nov 3, 2021 · 1 comment
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hechth commented Nov 3, 2021

The next package to add which contains functionality for noise level estimation and mass calibration is MFAssignR (package).

In order to create the galaxy tools, creating an outline of (i) what are the inputs, (ii) their formats, (iii) outputs + formats and (iv) a small example script showing how to load the data and call the function (if that is feasible/possible). This should also include documentation on input formats (column names etc., datatypes).

The individual steps/parts are

  • Noise estimation
  • polyisotopic mass filtering
  • mass measurement recalibration
  • molecular formula assignment
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hechth commented Dec 11, 2023

This is pretty much done and is available in an RMarkdown document.

@hechth hechth moved this to In Progress in MS1 Annotation Tools Dec 11, 2023
@hechth hechth closed this as completed Dec 11, 2023
@github-project-automation github-project-automation bot moved this from In Progress to Done in MS1 Annotation Tools Dec 11, 2023
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