Claude Skills by HolobiomicsLab

Use when you maintain a local repository of biological sequences (such

Use when you have metabolomics data that requires sequential processing

Use when when processing GC–MS or LC–MS data as m/z vs retention time

Use when when processing raw chromatography–mass spectrometry data (GC–MS

Use when after NPFimg's automated detection algorithm has identified

Use when you have extracted latent low-dimensional peak features from

Use when when you have a Marr() output object containing reproducibility

Use when when you have unlabeled molecular structure data (SMILES or

Use when when training a transformer encoder on tandem mass spectra (MS/MS)

Use when after parsing MRM transition tables (m/z values, retention times,

Use when you have defined a set of lipid targets (species, adducts, chain

Use when when you have a set of candidate molecular formulae for a measured

Use when when you have generated in silico annotations (from GNPS ISDB,

Use when you have experimental fragment m/z values from HRMS/MS instruments

Use when when you have a peaklist from IDSL.IPA or similar peak-picking

Use when after implementing or modifying an mzML parser module that converts

Use when you have intracellular metabolomics concentration measurements

Use when you have intracellular metabolomics measurements (absolute metabolite

Use when when you have quantified intracellular metabolite abundances

Use when you have extracted and intensity-normalized fragment ion masses

Use when when processing raw FT-ICR transient data (e.g., ESI_NEG_SRFA.d)

Use when after successfully matching at least 5 reference m/z points

Use when after loading centroided .mzML LC-MS data and creating a target

Use when after chromatographic peak detection on preprocessed LC-MS data,

Use when processing feature lists from LC- or GC-HRMS data (in mzML format

Use when after loading an MS-DIAL peak list (feature table with m/z,

Use when after MS-Dial peak picking and feature table construction, when

Use when when you have parsed two or more MS/MS spectra (precursor m/z

Use when after correlation-based feature pairing has identified feature

Use when you have centroided data-dependent acquisition (DDA) MS2 spectra

Use when you have a list of detected masses (m/z peaks) from MALDI-MS

Use when you have a preprocessed peak list (m/z values and assigned molecular

Use when after importing MSI data as an msimat object and having a list

Use when after peak picking and sample alignment when you have an aligned

Use when you have a formula-assigned DOM dataset from FT-ICR MS (or other

Use when you have raw LC-MS fractional abundances (FAM) data from isotope

Use when when processing low- or high-resolution mass spectrometry data

Use when after peak picking and before or after molecular formula assignment

Use when after molecular formula assignment has been performed on calibrated

Use when when annotating observed mass spectrometry peaks against theoretical

'Use when when screening LC-HRMS datasets for suspect compounds: you

Use when after applying polynomial m/z recalibration using a reference

Use when you have isolated TIC peak regions and need to extract ion chromatograms

'Use when when annotating full-scan MS or MS imaging data against a metabolite

Use when you have an untargeted metabolomics feature table with m/z values,

Use when when you have raw or minimally processed MS/MS spectra (in positive

Use when after LDA modeling has produced an inferred motifset (JSON format)

'Use when after mass track extraction from individual LC-MS samples,

Use when when you have constructed a MassGrid (m/z-aligned mass tracks

Use when after sample alignment has established consensus retention time