Claude Skills by HolobiomicsLab

Use when you have raw or peak-picked mass spectrometry data in HDF5 format

Use when when exporting quantified MSI data (feature-by-pixel intensity

Use when when you have converted multidimensional mass spectrometry data

Use when when you need to work with mzMLb (HDF5-based) proteomics data

Use when you have multidimensional MS data converted to MZA HDF5 format

Use when after invoking the DEIMoS CLI with a configuration file and

Use when after converting proprietary vendor mass spectrometry files

Use when when you have JSON table records (arrays of field-indexed objects)

Use when you have a gene expression matrix (samples × genes, with numeric

'Use when after training a DeepMSProfiler model and generating per-sample

Use when your peptide sample has been enriched with stable isotope labels

Use when your input consists of multiple external databases with different

Use when when building a Graph Transformer model for continuous property

Use when you have 2D NMR spectral data from multiple samples (a large

Use when when implementing or reverse-engineering a custom binary file

Use when you have a feature-by-sample matrix (finalData) of metabolomic

'Use when when you have a Metaboprep object after quality control filtering

Use when after XCMS feature detection, grouping, retention time correction,

Use when you have a normalized and imputed metabolite abundance matrix

Use when you have a pre-computed hierarchical dendrogram from correlation-based

Use when you have a normalized microbe-metabolite feature attribution

Use when after peak detection in GC-IMS preprocessing, when you need

Use when when you have a large combinatorial chemical space (e.g., all

Use when when you have received an MZA-format HDF5 file (or other hierarchical

'Use when your input is a tabular file (CSV or Excel) with column headers

Use when when building a reference library for high-throughput spectral

Use when you have a metabolomics count data frame with metabolite identifiers

Use when when you have multiple batches of metabolomics data with embedded

Use when immediately after parsing and validating raw LC-MS/MS data files

Use when when you have millions of high-dimensional objects (e.g., MS/MS

Use when when you have raw or preprocessed mass spectrometry imaging

Use when when you have a large spectral library (thousands to millions

Use when you have implemented or are evaluating an algorithmic or system

Use when you have a pre-trained MS/MS spectral embedding model and need

Use when you have high-resolution mass-spectrometry data (Orbitrap, GC-CI-MS)

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

Use when you have uploaded a delimited data file (CSV, TSV, or semicolon-separated)

Use when you have centroided LC- or GC-HRMS data (in mzML format, ideally

Use when when you have high-resolution tandem mass spectra from proteomics

Use when you have high-resolution MS2 data in .ms2 format from lipid

'Use when you have two spatial omics datasets (e.g., spatial transcriptome

Use when when you have MGF-formatted mass spectrometry peak files (typically

Use when you have uploaded a numeric column (e.g., H/C ratio, O/C ratio,

Use when after you have computed a histogram of pairwise mass differences

Use when when you have a trained MS/MS spectral embedding model and need

Use when you have executed batch spectral searches against two or more

Use when when you need to establish a reproducible inventory of compounds

Use when when you need to create in silico LC-MS/MS experiments with

Use when you have downloaded raw HMDB data (hmdb_metabolites.zip or pickle

Use when you have identified one or more proton NMR spectral regions-of-interest