bio-proteomics-dia-analysis
Installation
SKILL.md
Version Compatibility
Reference examples tested with: DIA-NN 1.9+, pandas 2.2+, pyarrow 15+
Before using code patterns, verify installed versions match. If versions differ:
- Python:
pip show <package>thenhelp(module.function)to check signatures - CLI:
<tool> --versionthen<tool> --helpto confirm flags
If code throws ImportError, AttributeError, or TypeError, introspect the installed package and adapt the example to match the actual API rather than retrying.
DIA Analysis -- Scoring Reconstructed Peak Groups Against a Decoy Null, Filtered at the Right q-Value Context
"Identify and quantify proteins from my DIA runs" -> Reconstruct, per candidate peptide, a set of co-eluting fragment extracted-ion chromatograms (XICs) and score whether that peak group is real against a decoy null -- because every wide-isolation-window MS2 is chimeric, so the problem is deconvolution and peak-group scoring, not spectrum matching.
- CLI:
diann --fasta-searchfor library-free (directDIA) discovery and quantification - CLI:
diann --lib predicted.speclibfor the deep-learning predicted-library route (the modern default) - CLI:
diann --lib experimental.tsvfor an experimental or chromatogram library - CLI:
OpenSwathWorkflow+pyprophetwhen explicit run/experiment/global FDR contexts must be auditable