Claude Skills by HolobiomicsLab

Use when after Mass2Motifs have been inferred from tandem MS/MS spectra

Use when when chaining multiple mpactr filters on a peak table and you

Use when you have a preprocessed peak table from tandem MS/MS data (e.

Use when you have raw MRM lipidomics export files in vendor-specific

Use when you have raw LC-MS/MS data in MRM acquisition mode and need

Use when after parsing raw MRM data into a transition table containing

Use when when processing LC-MS peak tables from isotope tracing experiments

Use when after running annotateRC on LC–MS AIF features with fragment

Use when you have MS data in a new format or storage system (e.g., a

'Use when implementing or validating a new MsBackend class that stores

'Use when when receiving raw MS data files of unknown or mixed acquisition

Use when you have raw breath HRMS data in mzML or mzXML format and need

Use when you have received raw CE-MS or LC-MS output files in vendor-specific

Use when you have MS-DIAL 4 or MS-DIAL 5 alignment results and need to

Use when you have performed lipid identification in MS-DIAL and need

Use when when you have raw LC-HRMS data in .mzML or .abf format and need

Use when you have completed peak picking in MS-DIAL (generating files

Use when you have a filtered MS-DIAL peak list (post-generic filtering,

Use when you are preparing to run LipoCLEAN on MS-DIAL output and need

Use when you have untargeted LC-MS/MS metabolomic data (peak-detected

Use when after completing MS-CleanR filtering (blank subtraction, background

Use when you have raw mass spectrometry data files from a mass spectrometer

Use when when evaluating or designing a mass spectrometry data analysis

Use when after ModiFinder has generated modification site probability

Use when you have completed LC-MS/MS data processing and feature alignment

Use when when you have predicted MS/MS fragments from quantum chemistry

Use when when you have two MS/MS spectra (each with a precursor m/z and

Use when when you have raw LC-MS/MS instrument output files (e.g., .mzML,

Use when when you have MS/MS spectra from both query compounds and a

Use when when you have MS/MS spectral data (raw or intermediate format)

Use when you have acquired MS/MS spectral data (in mzML, mzXML, or equivalent

Use when you have experimental MS/MS spectra from nontargeted metabolomics

Use when you have a labelled dataset of raw MS/MS spectra annotated as

Use when when you have raw MS/MS spectra (from NIST, MassBank, or local

Use when you have paired MS/MS spectra from unknown and known metabolites

Use when you have raw LC-MS/MS data acquired in Data-Dependent Acquisition

Use when you have a cleaned and clustered set of LC-MS features (m/z,

Use when you have millions of MS/MS spectra in mzML, mzXML, or MGF format

Use when you have raw or preprocessed MS/MS spectra in one of the supported

Use when you have an experimental MS/MS spectrum (e.g., from MassBank

Use when you have MS/MS spectra (in MGF format) with required metadata

Use when you have raw or semi-processed MS/MS spectral data from bottom-up

Use when processing LC-MS/MS data acquired in DDA mode that contains

Use when you have aligned fragment ion pairs from two MS/MS spectra (via

Use when when you have raw MS/MS spectra in MSP format (or similar) with

Use when you have an MS-DIAL feature table from DDA or DIA LC-MS analysis

Use when immediately after loading a raw GC-MS CSV file and before executing

Use when you have raw MS intensity data paired with known-concentration

Use when you have acquired a Thermo mass spectrometry RAW file (or other

Use when you have loaded raw MS intensity tables into QuantyFey and observe