Claude Skills by HolobiomicsLab

Use when you have a Thermo Fisher Orbitrap .raw file and need to programmatically

Use when after importing raw LC-MS/MS data files into the SIRIUS Java

Use when when you have a Thermo Fisher Scientific Orbitrap .raw file

Use when you have raw DIA mass spectrometry files (.raw, .d, .wiff formats)

'Use when you have raw or processed FT-ICR MS spectra with detected peaks

Use when you have deconvolved GC-MS spectra (output from auto-deconvolution)

Use when you have multi-sample MS1 data (LC-MS, LC-IMS-MS, or direct

Use when you have R Spectra objects and need to apply Python-only MS

Use when when you have aligned peak data from molecular networking (with

Use when you have raw mzML files and feature tables (CSV format from

Use when when you have raw or parsed MS spectra data (m/z values, intensity

Use when after normalization, smoothing, and baseline reduction have

Use when you have raw high-resolution mass-spectrometry data in mzML

Use when you have preprocessed MSI data (peaks already binned and normalized)

Use when you have raw MS/MS spectra in MGF, mzML, or msp format and need

Use when when you have raw mass spectrometry data from direct-infusion

Use when working with imaging mass spectrometry (IMS) datasets where

Use when you have preprocessed MSI data (as a CSV intensity matrix or

Use when after peak alignment across all spectra in an MSImagingExperiment

Use when you are building a visualization library that must support multiple

Use when you have a Pandas DataFrame containing mass spectrometry data

Use when when processing centroided .mzML LC–MS runs with a multi-polarity

Use when when you need to locate and extract quantitative retention time

Use when when you have a collection of compound structures in SDF format

Use when immediately after importing raw peak tables and metadata from

Use when when you have raw mass-spectrometry data (precursor m/z, ionization

'Use when when setting up a new LC-MS QC workflow or modifying existing

Use when you have centroided .mzML LC–MS data, a validated target compound

Use when you have raw LipidSearch or LIQUID output files (CSV or TSV

Use when you have measured MS intensity data from unknown samples and

Use when you have a high-resolution LC-MS/MS experiment with a measured

Use when when you need to express complex mass spectrometry search patterns

Use when you have generated or obtained a two-dimensional mass-spectrometry

Use when when you have raw DIA mass spectrometry data files (.raw, .d,

Use when you have raw MS data files from Thermo Orbitrap or other vendor

Use when you have individual MS/MS spectra or batch .mgf files from untargeted

Use when you have positive- or negative-mode tunemix reference data (with

Use when you have acquired tunemix data (positive or negative ion mode,

Use when after executing a MassQL query against mzML mass spectrometry

Use when you have raw LC-MS/MS chromatogram files in mzML/mzXML format

Use when you have a Thermo Fisher Scientific .raw file and need to (1)

Use when you have high-resolution LC-MS data processed through both XCMS

Use when when you have high-resolution LC-MS or GC-MS data from environmental

Use when you have a pair of MS/MS spectra—one from a known compound and

Use when when you have preprocessed MS/MS spectral pairs (peak intensities

Use when you have raw mass spectrometry spectra from an unknown analyte

Use when when you have raw LC–QTOF wastewater spectra (or other real

Use when compiling or harmonizing MS/MS spectral libraries from multiple

Use when you have pre-processed MS/MS spectra and need to prepare them

Use when you have high-resolution MS/MS spectra in mzML, mzXML, or MGF