Claude Skills by HolobiomicsLab

Use when you have a query mass spectrum of unknown modification status

Use when when generating a virtual chemical mixture for LC-MS/MS simulation,

Use when when preparing a chemical database for virtual or real MS/MS

Use when you have loaded an MsmsSpectrum object and need to focus analysis

Use when converting mzML files to imzML format for imaging mass spectrometry

Use when when searching for peptide spectra with unknown or open modifications

Use when when you have a feature table from Orbitrap LC-MS containing

Use when you have large-scale MS/MS spectra datasets (hundreds of thousands

Use when you have tandem mass spectra (MS/MS) in .msp format and need

Use when you have a collection of MS/MS spectra (in mzML or MGF format)

Use when when you have paired mass spectra and molecular structure data

Use when raw GC-MS data (netCDF or mzML format) contains overlapping

Use when when you have limited real GC-MS overlapped peak data but need

Use when when you have raw mass spectral data in .mgf, .msp, .mzML, or

Use when you have raw LC-MS/MS spectral data in vendor formats or unvalidated

Use when when you have separate LC-MS peak tables for unlabeled (C12)

Use when you have m/z values from spatially-resolved mass spectrometry

Use when you have untargeted metabolomics MS/MS spectra from multiple

Use when you have unaligned MS2 spectra from one or more samples (in

Use when you have access to the Flash Entropy Search implementation and

Use when after you have (1) identified putative labelled features with

Use when you have raw GC-MS data with overlapped peaks in a specific

Use when you have multiple mass spectral libraries in different formats

Use when you have acquired EI or MS/MS spectral libraries from multiple

Use when when applying a pre-trained Spec2Vec Word2Vec model to new mass

Use when you have a GNPS molecular network (classical or feature-based)

Use when you have centroided MS2 spectra (in mzML format from data-dependent

Use when you have one or more individual MS/MS spectra (in mzML, mzXML,

Use when after peak detection and feature table generation when you have

Use when you have predicted structural similarity scores (e.g., Tanimoto

Use when after XCMS feature detection, grouping, and retention time correction

Use when when you have a list of chemical compounds (with m/z values,

Use when you have tabulated pairwise mass differences from a MALDI-MS

Use when when processing in-silico or experimental MS spectra records

Use when you have a neutral molecular formula (e.g., C3H8O2) and need

Use when when you have baseline MS/MS peak annotations from a known compound

Use when after PuInc_seeker has identified putative incorporations in

Use when you have implemented or modified a tandem mass spectrometry

Use when when claiming that one mass spectrometry processing library

Use when after peak detection when you have a detected peaks table with

Use when you have raw profile LC-MS data in .mzML format and need to

Use when after MS2 annotation and sample alignment have been completed

Use when you have 32-dimensional GLEAMS embeddings (output from the `gleams

Use when you have a combined EI library (from multiple sources such as

Use when after generating transformation products using generateTPs()

Use when you have a preprocessed GC-MS dataset (from spreadOut) with

Use when you have two LC-MS feature tables (each containing m/z, retention

Use when you have generated a peak table or feature list from MZmine,

Use when implementing replacement methods ($<-, [<-, spectraData<-, mz<-,

Use when when you have processed LC-MS/MS spectral data in .mgf format