Claude Skills by HolobiomicsLab

Use when after identifying statistically significant features (e.

Use when after Mass2Motif discovery via LDA on preprocessed MS/MS spectra,

Use when you have a raw .xlsx or tabular file listing candidate compounds

Use when after generating a feature table from mzML data (via Asari)

Use when after feature extraction from raw LC-MS or GC-MS data (using

Use when when you have raw mass spectrometry transition data from a triple-quadrupole

Use when you have positive- or negative-mode tune reference compound

'Use when you have a mass spectrometry visualization library that claims

Use when when you have a collection of mzML.gz files from a multidimensional

Use when you have a collection of mzML or mzML.gz files from LC-IMS-MS/MS

Use when when you have a Spectra-based MS analysis workflow in R but

Use when when analyzing tandem mass spectra with unknown precursor adduct

Use when you have loaded a Bruker Solarix transient file (.d format with

Use when when you have Thermo Fisher Scientific .raw files from Orbitrap

Use when when preparing MS/MS spectra for neural network training or

Use when after applying frequency domain calibration (Ledford, linear,

Use when you have centroided LC-MS/MS spectral data (in MGF, mzXML, mzML,

Use when you have an unknown MS/MS spectrum (m/z and intensity pairs)

Use when you have cleaned MS/MS spectra (in formats like .mgf, .msp,

Use when you have raw GC-MS data in netCDF or vendor-specific binary

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

Use when after computing all pairwise mass differences from a mass spectrometry

Use when when working with multidimensional MS data (LC–IM–MS/MS) converted

Use when when processing raw or centroid mass spectra (e.g., ESI-MS or

Use when you have raw tandem mass spectra data (mz/intensity pairs and

Use when you have a processed mass spectrum object with assigned molecular

Use when you have raw MS/MS spectra in MSP format or as numpy arrays

Use when you have raw or processed MS spectrum data (mz/intensity pairs)

Use when you have raw or preprocessed electron ionization (EI) mass spectral

Use when after generating electronic noise (uniformly sampled m/z with

Use when when you have a query electron ionization mass spectrum (as

Use when when comparing two or more MSMS spectra using intensity-weighted

Use when after importing and preprocessing mass spectrometry data (in

Use when you have a collection of molecular structures (SMILES or chemical

Use when when you have molecular structures (SMILES, InChI, or chemical

Use when when you have raw MS/MS spectra in MGF or mzML/mzXML formats

Use when you have raw MS/MS spectra in MGF format with variable peak

Use when you have an unknown mass spectrum (as m/z and intensity arrays)

Use when when you have a full mass spectrum scan (e.g., FT1 or FT2 scan

Use when you have raw mass spectrometry data files from a Thermo instrument

Use when when you have an unknown compound's mass spectrum (m/z peaks

Use when when you have a query MS/MS spectrum (m/z and intensity pairs)

Use when when you have one or more peptide sequences (as strings) and

Use when you have an experimental tandem mass spectrum (collision-induced

Use when when you have parsed EI-MS spectrum data (m/z and intensity

Use when after filtering and cleaning MS/MS spectra (positive/negative

Use when you have an annotated MsmsSpectrum object (with fragment assignments

Use when when you have extracted m/z and intensity arrays from an MZA

Use when after generating theoretical B/Y ion spectra or after importing

Use when you are preparing to align two or more nontargeted LCMS datasets