Claude Skills by HolobiomicsLab

Use when you have LC-HRMS features with fragmentation data (observed

Use when after adduct configuration is complete and before querying formula

Use when you have a connected subnetwork of feature ions that have been

Use when use this skill after khipu has assigned observed ions to grid

Use when you have a Chemical Feature Tree artifact (phylogeny) output

Use when your analysis target is an HPC environment (e.g., Slurm-managed

Use when when you have raw LC-HRMS metabolomics data in .mzML or .

Use when you need to execute a Nextflow metabolomics workflow (e.

Use when you have .mzML or .abf LC-HRMS metabolomics raw data files and

Use when when you need to coordinate multiple bioinformatics tools (quality

Use when you have newly assayed 1H-NMR metabolomics data from Nightingale

Use when when you have normalized peak intensity matrices from FT-ICR

Use when you have isolated one or more regions-of-interest (ROIs) from

Use when when you have raw INADEQUATE NMR spectral data (e.g., from a

Use when you have preprocessed 1H NMR spectral data with an unknown or

Use when you have uploaded a pre-analytical data table containing sample

Use when you have a trained multitask machine learning model for structure

Use when you have 2D NMR spectra (heteronuclear: HSQC, HMBC;

Use when when you have raw or processed 1D NMR spectra (FID or frequency-domain

Use when you have proton (1H) and carbon-13 (13C) NMR peak measurements

Use when you have extracted peak data (chemical shift values in ppm,

Use when you have a CSV or table-formatted input spectral peak list (chemical

Use when you have raw 1D NMR spectra (in NMRPipe or similar format) from

Use when when you have preprocessed 1H NMR spectral data from flavor

Use when when you have raw or lightly processed 1D NMR spectra (¹H and/or

Use when when you have raw 1D NMR spectroscopic data (urine, worm, or

Use when you have 2D NMR spectral data (heteronuclear and/or homonuclear

Use when you have generated 1D FID time-domain data and Fourier-transformed

Use when when you have raw or preprocessed 1H NMR spectral tensors from

Use when when working with raw 1H NMR FID data acquired on instruments

Use when you have raw NMR/IR/MS spectral data in vendor-specific (RAW),

Use when you have raw 1D ¹H NMR spectroscopy output consisting of (1)

Use when when preparing library compound spectra and observed mixture

Use when you have Bruker NMR spectral files (raw instrumental output)

Use when you have a loaded INADEQUATE NMR spectrum file (after referencing

Use when you have acquired raw 1D NMR spectra (FID or processed spectra

Use when you have raw or semi-processed 1D NMR spectra (¹H and/or ¹³C)

Use when you have an NMR spectrum of a mixture sample and a library of

'Use when when loading or creating an NMR spectral dataset (Dataset.createDataFile)

Use when you have 1D NMR spectra (¹H or ¹³C or both) for an unknown organic

Use when when you have known metabolite concentrations and their spin-system

Use when you have raw 1D NMR spectra (FID or processed spectrum files)

Use when when you need to deploy SAND for 1D NMR spectrum deconvolution

Use when you have constructed a network object (edges and nodes) in MetaNet

Use when your input network contains multiple edge types (Biochemical,

Use when you have imported a raw GCxGC-MS chromatogram (NetCDF format

Use when after normalizing, smoothing, and baseline-reducing mass spectra

Use when when you have raw or centroid-mode LC-MS All-ion fragmentation

Use when when you have an aligned GCIMS dataset and need to configure

Use when when constructing synthetic LC-MS/MS runs in SMITER, you must