Claude Skills by HolobiomicsLab

Use when after performing univariate statistical testing (t-test or ANOVA

Use when when preparing fold-change measurements from multiple metabolomics

Use when you have paired measurements (e.g., gene expression counts,

Use when when you have differential expression results with both fold-change

Use when after RDKit generates multiple 3D conformers from ionized molecular

Use when when a web service must accept spectroscopic measurements (NMR

Use when when you have mass spectrometry data in multiple formats (mzML,

Use when when you have retrieved a user database entry (sequence or structure

Use when you have generated a lipid spectral library (with lipid identities,

Use when when training or validating a deep learning model for molecular

Use when when preparing multi-formula MS/MS training data for a rescore

Use when after generating candidate formula/adduct pairs from m/z database

Use when you have m/z values from mass spectrometry imaging (or similar

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

Use when when you need to generate synthetic MS/MS spectra with chemical

Use when you have calibrated m/z peak lists, configured adduct transformations

Use when when you have loaded a chemical database (e.g., HMDB pickle

Use when you have an observed m/z value from spatially-resolved mass

'Use when you have multiple open elemental images (e.g., P31, Zn66) from

Use when use this skill after training or fine-tuning a chemical formula

Use when you need to generate a set of candidate chemical formulas for

'Use when when preparing MS/MS spectral training data where: (1) the

Use when you have tandem mass spectra (MS/MS) with unknown precursor

Use when you have a pre-trained foundation model checkpoint (e.g., NaFM.ckpt)

Use when you have raw LC-MS fractional abundances of isotopologues (FAM)

Use when when you have 1D NMR spectra (1H and/or 13C) of an unknown compound

Use when you have a collection of molecular fragments (e.g., from molecular

Use when you have replicate MS/MS spectra with labeled fragment recurrence

Use when after extracting raw MS/MS spectra from mzML files but before

Use when you have centroid-mode LC-MS AIF chromatograms processed through

Use when when preparing tandem MS/MS data for spectral alignment and

Use when you have peak-picked experimental MS/MS data (m/z, retention

Use when when comparing experimental spectra to reference library spectra

'Use when denoising MS/MS spectra and you have: (1) a precursor ion with

Use when you have a tandem mass spectrum (MSMS) of a known or hypothesized

Use when you have two tandem mass spectra (query and reference) with

Use when you have experimental MS/MS spectra matched against a reference

Use when immediately after loading raw MS/MS spectra from .mgf, .msp,

Use when when you have an experimental MS/MS spectrum (centroid mode)

Use when after pointwise correlation analysis and exact mass difference

Use when when building a comprehensive lipid fragment ion library covering

Use when you have an tandem MS spectrum with unidentified peaks and a

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

'Use when when implementing fragment ion annotation in proteomics workflows

Use when after denoising MS/MS spectra at multiple frequency thresholds

Use when after generateComponents with algorithm='tp' has tentatively

Use when you have MS/MS spectra with assigned precursor formulas and

Use when you have a list of fragment peak m/z values and intensities

Use when you have downloaded fragment records from separate experimental

Use when after extracting and grouping fragments from top x% TIC-filtered