Claude Skills by HolobiomicsLab

Use when you have preprocessed MSImagingArrays data (after normalization,

Use when when you have paired spatial transcriptome and metabolome datasets

Use when you have paired spatial transcriptome and metabolome datasets

Use when you have paired spatial transcriptomics and spatial metabolomics

Use when you have deposited SpaceM spatio-molecular matrices (MORPHnMOL.

Use when after cross-validated neural network or regression models have

Use when you have trained predictive models (e.g., MiMeNet neural networks)

'Use when you have cross-validated predictions of metabolite abundances

'Use when : (1) you have metabolomic data (NMR or MS-derived) and a continuous

Use when you have paired predicted and observed metabolite abundance

Use when you have paired in silico and experimental measurements from

Use when you have discovered Mass2Motifs or other fragmentation pattern

Use when after discovering Mass2Motifs via LDA on preprocessed MS/MS

Use when when you have high-throughput mass spectrometry data (DI-MS,

Use when you have an unknown sample spectrum (m/z peaks and intensities

Use when you have a parsed lipid species table output from LipidSearch

Use when when loading MS/MS spectra from MGF files for FIDDLE model training

Use when when you need to extract m/z and intensity peak values from

Use when you are creating a new backend to expose MS data (m/z, intensity,

Use when when you have downloaded a GNPS molecular networking archive

Use when you have mass spectrometry spectral data (m/z and intensity

Use when when you have extracted and concatenated MS/MS spectra from

Use when you have Spectra objects in an R environment and need to apply

Use when you have one or more spectroscopic datasets (IR, Raman, UV-Vis,

Use when when building a new mass spectrometry data backend for the Spectra

Use when when implementing a custom MsBackend and the spectraData() method

Use when when designing or configuring an MsBackend subclass (e.

Use when when designing a new MsBackend subclass or extending an existing

Use when when processing raw or aggregated mass spectra datasets (from

Use when when you have two MS/MS fragmentation spectra (with precursor

Use when you have paired MS/MS spectra (known compound and its structural

Use when after correlation testing has validated putative parent–adduct

Use when after running GNPS molecular networking, SIRIUS compound identification,

Use when you have run two or more annotation pipelines on the same MS/MS

Use when your input is an mzPeak archive (ZIP of Parquet files) and you

Use when you have a raw or preprocessed peak table from tandem MS/MS

Use when you have loaded raw MSI spectral data (imzML format) in profile

Use when you have deconvolved GC-MS spectra in GNPS_GC input-compatible

Use when you have a collection of mass spectrometry spectral data (m/z

Use when after performing spectral library matching of mass spectrometry

Use when after running spectral networking on tandem MS data and obtaining

Use when you have raw MS/MS feature data with m/z, retention time, and

Use when you have computed a sparse pairwise distance matrix from MS/MS

Use when you have predicted BGC-spectrum link scores (e.g., IOKR or correlation

Use when you have picked peaks (coordinates and intensities) from an

Use when after extracting and filtering top-TIC spectra for a given feature

Use when you have a collection of tandem mass spectrometry spectra in

Use when you have preprocessed 1H NMR spectral data (e.g., from plasma

Use when you have completed a ViMMS simulation run or processed real

Use when you have quantification tables (with feature IDs and abundance