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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
.fsxpages underdocs/, grouped into four categories:Spectrum processing
01_01_peaks_and_peak_arrays: thePeakandPeakArraytypes, 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.mdintroduces the library and links the categories.docs/_head.htmlanddocs/img/favicon.icomatch the BioFSharp look.build/DocumentationTasks.fsbuilds the site withhttps://biofsharp.com/BioFSharp.Mz/as root.