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Add gh-pages documentation for BioFSharp.Mz - #13

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caroott merged 11 commits into
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Sep 1, 2026
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caroott merged 11 commits into
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@caroott caroott commented Sep 1, 2026

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This branch adds a documentation site for BioFSharp.Mz and BioFSharp.Mz.Vis, built with fsdocs and styled like the BioFSharp site.

Pages

Ten .fsx pages under docs/, grouped into four categories:

Spectrum processing

  • 01_01_peaks_and_peak_arrays: the Peak and PeakArray types, reading an MGF spectrum, centroided peak data.
  • 01_02_signal_detection: wavelet peak picking with padding, the parameters that drive it, and the peaks it produces from a raw MS1 scan.
  • 01_03_charge_state_determination: isotope cluster detection and charge inference, including the significance test behind the reported scores.

Peptide identification

  • 02_01_fragmentation: in silico b and y ion series with neutral losses, matched against a real MS2 spectrum.
  • 02_02_search_databases: building and querying the SQLite peptide database from a FASTA file with a tryptic digest and a mass window.
  • 02_03_sequest_like_scoring: the xcorr score computed for candidate peptides.
  • 02_04_andromeda_like_scoring: the binomial Andromeda score and the X!Tandem hyperscore side by side.

Quantification

  • 03_01_quantification: extracted ion chromatograms, start-parameter estimation and Gaussian or EMG peak fits.

Validation and inference

  • 04_01_fdr_control: target-decoy FDR, q-values, posterior error probabilities.
  • 04_02_protein_inference: peptide-to-protein evidence classes and the two inference modes.

Every code block runs against the built assemblies, and every output block on a page is the verbatim output of that run. The pages use the small data files in docs/data/ (two MGF spectra and a Chlamydomonas chloroplast FASTA).

Site

  • docs/index.md introduces the library and links the categories.
  • docs/_head.html and docs/img/favicon.ico match the BioFSharp look.
  • build/DocumentationTasks.fs builds the site with https://biofsharp.com/BioFSharp.Mz/ as root.
  • Binder, script and notebook badges follow the same layout as the BioFSharp pages.

@caroott
caroott merged commit c8e6e9b into main Sep 1, 2026
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codecov Bot commented Sep 1, 2026

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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 71.62%. Comparing base (9bb2403) to head (67f8219).
⚠️ Report is 14 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main      #13   +/-   ##
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  Coverage   71.62%   71.62%           
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  Files          44       44           
  Lines       13765    13765           
  Branches      795      795           
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  Hits         9859     9859           
  Misses       3901     3901           
  Partials        5        5           

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