Claude Skills by HolobiomicsLab

Use when you have downloaded a GNPS archive from either GNPS1 (https://gnps.ucsd.edu)

Use when when you have downloaded a multi-file .csv library repository

Use when when uploading a new mass spectrometry data file to Punc'data

Use when you have a metabolomics dataset (CSV format) containing detected

'Use when after feature extraction or feature alignment when you have

Use when when you have a .csv file intended as input to CypReact containing

Use when you have generated or curated a lipid spectral library (with

Use when you have received a raw peak table CSV (in either standardized

Use when you have a CSV file containing molecule definitions (chemical

Use when when you have validated mass spectrometry transition data (precursor

Use when you have numeric distribution data (e.g., gene expression, abundance,

'Use when when you have per-feature quality metrics (such as CV values

Use when when standard conversion directives (headers, collate, fields_to_headers,

Use when a practitioner has pre-computed features from an external feature-finding

Use when when you have LC-MS/MS data in Mascot Generic Format (mgf) files

Use when your input is a large mzML or text file that would benefit from

Use when when you have mass spectrometry data stored in a database or

Use when you have a user-supplied metabolite set file (CSV or JSON) defining

Use when your mzML file contains custom or non-standard spectrum index

Use when you have a set of molecular structures (in .sdf or .csv SMILES

Use when when you need to predict drug or xenobiotic metabolites across

Use when you need to embed CYP450 metabolite prediction directly into

Use when you have a collection of molecular structures intended for CypReact-based

Use when after computing pairwise mass-difference transformations between

Use when after constructing or filtering a metabolomic network in MetaMapR

Use when after signal drift correction (step 4) has computed per-feature

Use when after generating a dashboard_data.json file from the msFeaST

Use when after loading a specXplore session data object (saved .

Use when you have preprocessed and normalized ROI feature data extracted

Use when when uploading a delimited CSV or similar tabular file to Punc'data

Use when after parsing and validating a .csv file containing comma-separated

Use when you have a conceptual MS/MS fragmentation strategy (e.

Use when you have untargeted metabolomics mass spectrometry data (MS2

Use when mSMetaEnhancer fetches metadata from external services (CIR,

Use when you have retrieved a complete set of project JSON documents

Use when after completing data merging, cleanup, and batch correction

Use when you have m/z peak lists (positive and negative mode) and sample

Use when after converting raw Bruker .d/.baf or other proprietary mass

Use when after assign_hierarchy has added KEGG compound identifiers and

'Use when you have raw MS files (with associated metadata: filename,

Use when when building a platform that must accept raw MS data files

Use when immediately after importing raw mass spectrometry data from

Use when after applying matchms metadata cleaning tools to normalize

Use when you have deconvoluted or processed MS/MS spectra from SWATH-MS

Use when when consolidating entries from multiple heterogeneous source

Use when you have Spectra::Spectra objects in R and need to apply Python

Use when you have raw or partially processed metabolomics data (mzML/mzXML

Use when you have identified example R or MATLAB scripts in a repository's

Use when you have raw spectroscopic datasets from heterogeneous sources

Use when processing spectral datasets from open mass spectra libraries