Claude Skills by HolobiomicsLab

Use when when you have tandem mass spectra data and need to predict a

Use when when you have ensemble predictions (e.g., from Monte-Carlo Dropout

Use when when you have paired MS2 spectra and BGCs with structural candidates

Use when when you have paired genomics (antiSMASH-detected BGCs with

Use when you have a preprocessed feature table (m/z, retention time,

Use when after loading raw diaPASEF or DIA mass spectrometry data (mzML

Use when your peak table contains suspected mispicked ions—ions with

Use when after applying one or more mpactr filters (mispicked, group,

Use when when raw LC-MS feature tables exhibit inter-sample intensity

Use when you have raw mass-spectrometry data files (mzML, mzXML, or vendor

Use when after applying one or more mpactr filters (filter_mispicked_ions,

Use when you have peak data from MSI experiments (stored as .zip peak

Use when when you have preprocessed mass spectrometry ion images (single-channel

Use when when preparing ion image data from mass spectrometry imaging

Use when training a contrastive encoder on mass spectrometry imaging

Use when you have 512-dimensional representation vectors output from

Use when when you have imzML mass spectrometry imaging data files and

Use when you have a feature table containing raw ion mobility arrival

Use when you have TWIM-MS experimental data with arrival times and m/z

Use when when you have positive- or negative-mode ion mobility spectrometry

Use when you have TWIM-MS experimental data with assigned biomolecular

Use when you have raw IM-MS data in UIMF or Agilent MassHunter .d format

Use when when processing raw mass spectrometry data files of unknown

Use when when processing raw IM-MS data (Agilent MassHunter .

Use when you have high-dimensional TWIM-MS data (arrival time and m/z

Use when you have a set of metabolite structures (or their molecular

Use when your raw MSI dataset is acquired on an ion-mobility-enabled

Use when you have raw LC-IMS-MS data (Agilent, Thermo, Bruker, or mzML

Use when you have a curated dataset of molecular structures (or molecular

Use when when you have raw IM-MS data from drift tube (DT) or SLIM instruments

Use when you have IM-MS lipidomics samples spiked with U13C-labeled internal

Use when when you have mass spectrometry data with ion mobility (drift

Use when when you have extracted ion mobilograms from DIA-MS experiments

Use when you have raw arrival-time data from TWIM-MS and need to convert

Use when preprocessing raw Agilent MassHunter (.d) or UIMF IM-MS data

Use when you have raw ion mobility-mass spectrometry data (drift time

Use when after peaks have been detected in aligned GCIMS samples using

Use when you have tunemix reference data acquired in both positive and

Use when after temporal correlation has identified feature pairs with

Use when after you have identified candidate ion-species pairs through

'Use when you have MS1 data from multiple samples and need to assess

Use when after dereplication and cosine similarity clustering have been

Use when you have CE-MS raw data (mzML or netCDF format) containing a

Use when after you have partitioned a feature network into connected

Use when after calling MsmsSpectrum.annotate_proforma() to assign fragment

Use when you have an MS/MS spectrum and a ProForma 2.0 peptidoform specification,

Use when when evaluating whether a mass spectrometry analysis platform

Use when your LC-MS peak table from MS-DIAL or similar software contains

Use when when converting MS/MS spectra from .msp format library files

Use when when converting raw MS/MS spectral records (e.g. from .msp format)