Claude Skills by HolobiomicsLab

Use when when you have spectroscopic measurements (1D ¹H or ¹³C NMR)

Use when when you have completed ORCA single-point energy calculations

Use when you have preprocessed mass spectrometry fragmentation data (neutral

Use when you have a tandem MS/MS spectrum of a structurally modified

Use when when you have an experimental MS/MS spectrum (query spectrum

Use when you have tandem mass spectra for compounds with known binary

Use when you have a collection of MS/MS spectra (≥2 spectra) and wish

Use when after converting a decision tree path into a MassQL query string,

Use when after feature detection and alignment have produced a feature

Use when when you have detected m/z values from LC-IM-MS/MS that match

Use when you have raw or peak-detected mass spectrometry data (mzXML,

'Use when you have two MS/MS spectra (precursor m/z and fragment ion

Use when you have extracted a chemical mixture from a real mzML acquisition

Use when after completing multidimensional smoothing and saturation repair

Use when you have loaded a table of entity–attribute pairs (e.

Use when after feature clustering has grouped co-eluting features and

Use when you are evaluating or selecting FT-ICR MS software for a specific

Use when when you have raw or processed FT-ICR MS peak-abundance .

Use when you have FT-ICR MS peak abundance data in Formularity .

'Use when after applying mass calibration functions (LedFord, linear,

Use when you have FTICR-MS direct injection (mzML) data with identified

Use when when you have a processed Bruker Solarix FT-ICR mass spectrum

Use when you have loaded an FT-ICR raw spectrum (e.g., ESI_NEG_SRFA.d

Use when you have received raw FT-ICR transient data from Bruker Solarix

Use when you have a Bruker Solarix FT-ICR transient file in .d format

Use when you need to assess MS1-level ionization efficiency, peak detection

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

Use when after running CPAT, signalP, Pfam, and fimo tools on differentially

Use when you have a set of query chemicals (chemical names or structures)

Use when you have reconstructed the structural topology of two metabolic

Use when when you have two metabolic networks (e.g., from KEGG) and need

Use when you have an untargeted metabolomics feature table (m/z and retention

Use when after assigning hierarchical KEGG identifiers to a metabolomics

Use when when you have abundance-normalized FT-ICR MS peak data with

Use when you have extracted parallel feature streams from a CNN backbone

Use when when you have experimental MS/MS spectra and want to discover

Use when you have a Galaxy Master branch installation (or specific commit

Use when after deploying Galaxy-M tool files and XML wrappers into a

Use when you have a working R package that performs established preprocessing,

Use when when integrating a multi-backend metadata enrichment package

Use when you have access to a computation-times table or performance

Use when after fitting candidate GAM splines with B-spline basis functions

Use when when processing untargeted LC-MS data with SLAW and observing

Use when when merging multiple draft metabolic models (in JSON, XML,

Use when after peak detection on a composite mass track has identified

Use when after peak detection on mass track segments using find_peaks,

Use when after you have accumulated experimental MS data from ≥2 LC gradient

Use when after collecting observed separation efficiency scores at sampled

Use when you have vendor-format GC-CI-MS raw data from a stable isotope

Use when you have a combined EI mass spectral library (MSP format) lacking