Claude Skills by HolobiomicsLab

Use when you have raw MS/MS spectral data and plan to calculate spectral

Use when immediately after extracting ion chromatograms (EICs) by binning

Use when when working with raw or partially processed tandem mass spectrometry

Use when you have imported raw MSI spectral data in imzML format and

Use when when you have clean, baseline MS/MS spectra and need to create

Use when after generating tandem mass spectrum predictions from a neural

Use when when you have aligned peak-alignment data from a preceding molecular

Use when you have processed LC-MS/MS spectral data (as a .mgf file with

Use when after peak picking across individual spectra in an MSImagingExperiment,

Use when when comparing two MS/MS spectra where the precursor m/z values

Use when you have an annotated or raw tandem mass spectrometry spectrum

Use when you have a tandem mass spectrum with observed m/z peaks and

Use when you have raw MS/MS spectra with variable numbers of peaks at

Use when when you have raw high-resolution tandem mass spectra (mzML,

Use when after peak detection on individual GC-IMS samples, when you

Use when when you need to retrieve m/z–intensity pairs from a MsBackend-backed

Use when when you have received POST requests containing peaks data as

Use when you have a raw 1D NMR spectrum (FID or processed format) from

Use when after noise filtering and baseline correction have been applied

Use when you have raw LC-MS data in mzML or mzXML format and need to

Use when you have raw INADEQUATE NMR spectra files and need to transition

Use when when you have aligned mass tracks (extracted ion chromatograms)

Use when you have a 1D intensity array (e.g., a single MS1 or MS2 spectrum

Use when when you have variable-length MS/MS peak lists (m/z and intensity

Use when when you have a large collection of query high-resolution mass

Use when working with raw or minimally processed MS/MS spectra from repositories

Use when after molecular formula assignment has been performed on FT-ICR

Use when you have raw or annotated MS/MS spectra (in MGF, mzML, or mzXML

Use when you have imported raw mass spectrometry data in formats such

Use when you have 1D MS signal data (extracted ion chromatograms, arrival

Use when you have MS/MS spectral data (mzML, mzXML format) and a parent

'Use when you have MS/MS spectra with fragment frequency annotations

Use when after extracting raw MS/MS spectra from mzML files when you

Use when you have multiple replicate MS/MS spectra for the same metabolic

Use when you have a molecular structure (SMILES, InChI, or chemical formula)

Use when after loading raw m/z peak data (in MetaboAnalyst, MetaboShiny

Use when after filtering and noise removal when you have a cleaned spectrum

Use when when comparing a query MS/MS spectrum (e.g., from an unknown

Use when after peak picking has been completed on INADEQUATE NMR spectra

Use when when preparing query spectra and library spectra for similarity-based

Use when you have mass spectrometry imaging data with a histogram of

Use when you have preprocessed MSImagingArrays objects (normalized via

Use when when you have replicate MS/MS spectra for the same feature (precursor

Use when when generating synthetic LC/GC-MS .mzML files from MoNA or

Use when raw Agilent MassHunter (.d) or UIMF mass spectrometry files

Use when before feeding a peak list into the NMRformer model or other

Use when you have a resolved mass spectrum (m/z values, intensities,

Use when when you have MS/MS spectra (LC-MS or equivalent positive ionization

Use when after loading a raw MsmsSpectrum object from a tandem mass spectrometry

Use when you have pre-trained MLP and GNN spectral prediction models