Claude Skills by HolobiomicsLab

Use when when you have cleaned, normalized organism, structure, and reference

Use when you have a feature quantification table output from MZmine3

Use when you have a table with multiple records (e.g., a protocol table

Use when you have a CSV or table-format spectral peak list (with chemical

Use when you have extracted MS1 or MS2 peak lists and scan headers from

Use when you have multiple independent implementations of the same data

Use when after generating a preliminary feature table from LC-MS data

Use when you have a txt or tabular export file from a liquid chromatography–mass

Use when when you have received raw MRM lipidomics export files in vendor-specific

'Use when you have raw tabular experimental data (CSV or Excel) with

Use when when converting mwTab-formatted metabolomics files (containing

Use when after curating and integrating structure-organism pairs from

Use when you have extracted tabular data (e.g., protocol descriptions,

Use when when you have chemical annotations (GNPS matches) distributed

Use when you have raw HPLC column metadata arrays containing Tanaka parameter

Use when you have tandem mass spectra (in .msp or compatible format)

Use when when you have raw tandem mass spectra in mz/intensity format

Use when you have an unknown MS/MS spectrum (tandem mass spectrum) with

Use when you have centroided LC-MS/MS spectra (in MGF, mzXML, mzML, or

Use when you have acquired raw tandem MS data from ProteomeXchange or

Use when you have pairs of cleaned tandem mass spectra with known chemical

Use when you have high-resolution MS2 data (.ms2 format) from tandem

Use when you have a new fragmentation acquisition strategy (e.g., a weighted

Use when after MS1 feature extraction and prescreening quality control

Use when you have raw MS/MS spectra from public repositories (e.

Use when when you have raw LC-MS or LC-IMS-MS data in instrument format

Use when you have a large collection of tandem mass spectra (mzML, mzXML,

Use when when you have raw predictions from a trained fragment generation

'Use when you have aligned features characterized across multiple dimensions

Use when preparing tandem MS/MS datasets for cross-dataset similarity

Use when when you have raw or instrument-native tandem mass spectrometry

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

Use when you have acquired raw MS/MS spectra (in MGF or mzML format)

Use when you have an unknown tandem MS/MS spectrum (precursor m/z and

Use when importing MS/MS spectral libraries (particularly from MoNA or

Use when after importing raw peak tables from tandem MS/MS preprocessing

Use when when you have raw feature tables exported from a tandem LC-MS/MS

Use when you have received spectrum predictions (fragment masses and

Use when when you have experimental tandem MS spectra (with peak m/z

Use when you have untargeted MS2 spectral data in MS2MP-compatible format

Use when when preparing paired MS/MS spectra for training or validation

Use when when you have a set of MS/MS spectra with ground-truth structural

Use when you have a trained MS2DeepScore neural network and a set of

Use when you have a collection of molecular fingerprint vectors (such

Use when when you have paired mass spectrometry spectra (e.g., from GNPS,

Use when when running iterative reaction network expansion (Pickaxe)

Use when you have a CSV-formatted target list with m/z, retention time,

Use when you have LC-MS data (mzML or netCDF format) and a predefined

Use when you have a raw list of target compounds (in .xlsx, CSV, or database

Use when when you have raw diaPASEF mzML files, a transition list with