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HolobiomicsLab

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1. ▌
   Roc Curve Computation · holobiomicslab

   Use when you have paired columns of predicted probabilities (or decision scores) and true binary class labels, and need to assess classifier discrimination ability across all decision thresholds.
   3 installs
2. ▌
   Sdf Format Validation · holobiomicslab

   Use when when you have downloaded an SDF-formatted compound database file (such as from the DNA adductomics database) and need to verify that the file is not corrupted, that each record represents a single valid chemical structure, and to obtain a record count before proceeding to structure-based.
   4 installs
3. ▌
   Smiles String Parsing · holobiomicslab

   Use when when you have a raw list of SMILES strings in a file and need to prepare them as input for CFM-ID in silico spectrum generation to create pseudo SMILES-spectrum training pairs.
   5 installs
4. ▌
   Spectral Token Design · holobiomicslab

   Use when when you need to prepare mass spectra and molecular structures for joint modeling in a BART or transformer-based sequence model, and you lack a unified representation scheme that allows both modalities to be encoded and decoded without collision or information loss.
   3 installs
5. ▌
   Test Suite Validation · holobiomicslab

   Use when after rewriting, refactoring, or updating a core computational module (e.g., calculate_feature_overlap.py in FERMO 0.8.7) to confirm that all existing unit tests pass with zero failures and that the rewritten code does not introduce regressions or break existing contracts.
   8 installs
6. ▌
   Coeluting Ion Separation · holobiomicslab

   Use when raw GC-MS data (netCDF or mzML format) exhibits overlapping chromatographic peaks—i.e., when multiple analytes elute at similar retention times and produce composite mass spectra with ambiguous m/z signals.
   4 installs
7. ▌
   Retention Time Filtering · holobiomicslab

   Use when working with GCIMS datasets where retention time spans a wide range (e.g., 0–1500 s) but your analytes of interest are confined to a narrower window (e.g., 0–1100 s).
   6 installs
8. ▌
   Spectral Noise Filtering · holobiomicslab

   Use when immediately after extracting ion chromatograms (EICs) by binning mass spectral data across the full m/z range from raw LC/HRMS files (mzML, mzXML, or netCDF format).
   6 installs
9. ▌
   Ensemble Model Inference · holobiomicslab

   Use when you have a set of compounds (as SMILES strings or molecular structures) that need retention order predictions in a reversed-phase liquid chromatography (RPLC) system at eluent pH ~2.7, and you want to quantify prediction uncertainty rather than relying on a single model's output.
   8 installs
10. ▌
    File Format Writing Mzml · holobiomicslab

    Use when after completing an Environment simulation or replay with scan-level MS2 acquisition control, and evaluation data has been collected in memory.
    6 installs
11. ▌
    Genome Identifier Lookup · holobiomicslab

    Use when a paired omics project JSON document contains genome identifiers (e.g. IMG IDs, NCBI accessions) but lacks corresponding organism names.
    6 installs
12. ▌
    Gnps Mgf Format Handling · holobiomicslab

    Use when you have mass spectrometry MS/MS spectral data in GNPS-style MGF format and need to feed it into the Mass2SMILES deep learning model for structure and functional group prediction.
    6 installs
13. ▌
    Gnps Repository Querying · holobiomicslab

    Use when when you have a USI string (e.g., mzspec:GNPS:TASK-d93bdbb5cdda40e48975e6e18a45c3ce-...
    5 installs
14. ▌
    Hrms Data Format Parsing · holobiomicslab

    Use when you have raw or processed HRMS/MS data from Q-Exactive, Agilent Q-TOF, Bruker Q-TOF, or SCIEX Q-TOF instruments in formats such as mzML, CSV peaklists, or vendor-specific formats, and you need to extract experimental fragment m/z values and their intensities for comparison against.
    6 installs
15. ▌
    Ionization Mode Handling · holobiomicslab

    Use when your MZmine MGF and CSV input files contain mixed or ambiguous ionization modes, or when your experimental design specifies separate negative (NEG) and positive (POS) ionization mode acquisitions that must be processed independently before merging.
    5 installs
16. ▌
    Isf Feature Table Export · holobiomicslab

    Use when after completing Part 4 (Identification of ISF Features) in the ISFrag workflow, when you have an ISFrag analysis results object containing identified ISF features and need to save them as a portable, tabular file for external analysis, reporting, or integration with other metabolomics.
    6 installs
17. ▌
    JSON Document Enrichment · holobiomicslab

    Use when when your project JSON document contains public identifiers (genome IDs, biosample accessions, etc.) that lack human-readable or linked metadata, and you need to populate those fields programmatically before storage or publication to enable full-text search, validation, or cross-linking.
    5 installs
18. ▌
    Lc Ms Data Preprocessing · holobiomicslab

    Use when you have raw mzML files and corresponding feature tables (CSV format, mzmine-formatted) from untargeted LCMS experiments, and you need to convert them into uniformly-shaped peak matrices (2 × 120 per peak: margin + signal regions) as input for neural network classification of MS1 peak.
    6 installs
19. ▌
    Lcms Data Format Parsing · holobiomicslab

    Use when when you have raw LC/MS data in mzML format and need to execute the LAGF non-targeted screening pipeline. Use this skill as the first step before applying the LAGF algorithm workflow to extract and annotate features from mass spectrometry data.
    5 installs
20. ▌
    Mass To Charge Filtering · holobiomicslab

    Use when after generating theoretical B/Y ion spectra or after importing experimental MS/MS scans when your analysis goal requires restricting the ion population to a specific m/z window (e.g., m/z < 2000).
    6 installs
21. ▌
    Mass Tolerance Filtering · holobiomicslab

    Use when when you have observed fragment peak m/z values from tandem mass spectra and need to assign chemical subformulae to them.
    3 installs
22. ▌
    Matlab Package Execution · holobiomicslab

    Use when you have two separate LC-MS untargeted metabolomic feature datasets (each with retention time and m/z values) and need to establish feature-to-feature correspondence between them.
    6 installs
23. ▌
    Ms Ms Ion Interpretation · holobiomicslab

    Use when when you have two MS/MS spectra (each with a precursor m/z and a list of fragment ion m/z values) and need to identify which fragment ions correspond between them, especially when structural differences make simple monotonic alignment unreliable.
    9 installs
24. ▌
    Ms2 Precursor Extraction · holobiomicslab

    Use when when you have a resolved spectrum file in mzML or mzXML format and need to identify where MS2 (tandem mass spectrometry) scans occur within an LC-MS run, particularly to annotate XIC displays with MS2 precursor positions or validate that MS2 events align with expected chromatographic.
    5 installs
25. ▌
    Mzml File Format Parsing · holobiomicslab

    Use when when you have mass spectrometry raw data in mzML format and need to execute MassQL queries, perform batch analysis across a directory of spectra files, or programmatically access MS1 and MS2 scan data with retention time, m/z, and intensity metadata.
    8 installs
26. ▌
    Mzml File Format Writing · holobiomicslab

    Use when you have peak properties (mass, intensity, retention time) for biomolecules, selected noise and fragmentation models, and instrument parameters (e.
    8 installs
27. ▌
    Mzml XML Deserialization · holobiomicslab

    Use when your input is an mzML file (XML-based mass spectrometry data format) and you need to expose spectral metadata, scan information, and ion data in a structured, programmatic form for alignment, clustering, drift correction, or quantification within the BMXP pipeline.
    8 installs
28. ▌
    Numpy Array Manipulation · holobiomicslab

    Use when when you have raw MS/MS peak lists that need to be loaded, analyzed for intensity frequency patterns, or filtered based on noise characteristics.
    6 installs
29. ▌
    Peak Formula Enumeration · holobiomicslab

    Use when when you have tandem mass spectra (mz/intensity pairs with precursor m/z) and need to train interpretable machine learning models—particularly decision trees or regression models—where each feature must correspond to a concrete chemical entity (peak or neutral loss) rather than a latent.
    5 installs
30. ▌
    Peak Matrix Construction · holobiomicslab

    Use when when you have raw mzML files and a corresponding feature table (CSV format, e.g., from mzmine) and need to generate peak matrices with fixed dimensions (e.g., 2 × 120) that encode margin vs. peak signal regions for training a neural network classifier to filter false positive LCMS peaks.
    6 installs
31. ▌
    Peak Property Validation · holobiomicslab

    Use when after converting a CSV file of molecule definitions into a peak properties dictionary using csv_to_peak_properties, or after loading a serialized peak properties dictionary from pickle/JSON storage, before passing it to SMITER simulation functions (e.g., smiter.synthetic_mzml.write_mzml).
    4 installs
32. ▌
    Peak Table Deconvolution · holobiomicslab

    Use when your peak table contains ions with similar retention time and mass-to-charge ratios that likely represent isotopic patterns incorrectly split during preprocessing or detector artifacts.
    7 installs
33. ▌
    Peak Table Harmonization · holobiomicslab

    Use when when you have extracted peak tables from multiple independent LC/HRMS analysis batches (each with retention time and m/z values) and need to align peaks across batches to create a unified feature matrix for downstream statistical analysis.
    7 installs
34. ▌
    Precursor Mass Filtering · holobiomicslab

    Use when after retrieving top-scoring library candidates from a full MS2Deepscore comparison, but before or during final re-ranking.
    6 installs
35. ▌
    Qiime2 Artifact Handling · holobiomicslab

    Use when you have raw mass-spectrometry files (MGF, BIOM, mzXML, mzML) or feature abundance tables from external tools (MZmine2, peak detection software) and need to convert them into QIIME 2's typed artifact format before running downstream plugins like q2-qemistree, diversity analyses, or.
    4 installs
36. ▌
    R Data Frame Aggregation · holobiomicslab

    Use when when you have extracted multiple spectral attributes (e.g., base-peak m/z, intensity, retention time, scan index) from individual MS scans via accessor functions and need to organize them into a single rectangular data frame for batch analysis, filtering, or export to external tools.
    8 installs
37. ▌
    Retention Time Alignment · holobiomicslab

    Use when after peak detection in untargeted metabolomics when you have identified ion signals across mass-to-charge and retention-time dimensions from replicate injections of the same samples, and you need to group peaks from different runs that represent the same metabolite before building a.
    8 installs
38. ▌
    Shiny App Initialization · holobiomicslab

    Use when you have developed an R-based workflow (e.g., data processing, peak detection, quality review) that is complex enough to warrant interactive parameter tuning and visual feedback, and you need to distribute it to collaborators or end-users who prefer a graphical interface over scripting.
    5 installs
39. ▌
    Similarity Score Sorting · holobiomicslab

    Use when after a deep-learning model has predicted structural similarity scores between an unknown metabolite's MS/MS spectrum and all known metabolites in a reference database.
    5 installs
40. ▌
    Spectral Data Validation · holobiomicslab

    Use when when raw spectra have been imported from common MS/MS file formats but contain inconsistent, missing, or malformed metadata fields that could compromise spectral similarity comparisons or cause downstream pipeline failures.
    6 installs
41. ▌
    Spectrum Data Formatting · holobiomicslab

    Use when you have acquired raw or semi-processed mass spectra and need to search them against curated domain-specific databases (microbeMASST, plantMASST, etc.) using standalone web applications or batch APIs.
    8 installs
42. ▌
    Spectrum Pair Prediction · holobiomicslab

    Use when you have pairs of MS/MS spectra and need to estimate their structural similarity (Tanimoto score based on molecular fingerprints) as a proxy for compound relatedness.
    5 installs
43. ▌
    Binary File Format Parsing · holobiomicslab

    Use when you encounter a proprietary or undocumented binary file (e.
    6 installs
44. ▌
    HTTP Post Request Assembly · holobiomicslab

    Use when you have NMR peak data (1H and 13C chemical shift values) that must be submitted to a remote DeepSAT SMART 3 classification API for structural prediction, and you need to format the data correctly, validate the endpoint schema, and parse the response to extract predictions and confidence.
    4 installs
45. ▌
    Nmr Peak Quality Filtering · holobiomicslab

    Use when you have a CSV or table-formatted input spectral peak list (chemical shifts, intensities, metadata) destined for NMRformer metabolite identification, and you observe or suspect that the list contains noisy peaks or peaks with chemical shifts that do not match known reference standards.
    5 installs
46. ▌
    Nmr Spectrum Normalization · holobiomicslab

    Use when when preparing library compound spectra and observed mixture spectra for mcfNMR analysis, normalize both spectra to cumulative distribution functions (CDFs) scaled by total intensity.
    6 installs
47. ▌
    Nmr Spectrum Preprocessing · holobiomicslab

    Use when you have raw or semi-processed 1D NMR spectra (¹H and/or ¹³C) from routine laboratory instruments and need to feed them into a CNN–transformer architecture for end-to-end structure elucidation.
    7 installs
48. ▌
    Nmr Spin System Simulation · holobiomicslab

    Use when when you have known metabolite concentrations and their spin-system coupling constants (J-values) and need to generate synthetic ¹H NMR spectra for method validation, metabolite library construction, or as a training dataset.
    8 installs
49. ▌
    Peak Similarity Assessment · holobiomicslab

    Use when you have a set of picked peaks from INADEQUATE NMR spectra and need to group them into networks to identify which peaks co-originate from the same metabolite compound.
    4 installs
50. ▌
    Pytorch Module Composition · holobiomicslab

    Use when when you need to extract both local spatial patterns and global long-range dependencies from sequential or spectral data (e.g., 1H NMR spectra), and neither CNNs nor Transformers alone are sufficient.
    4 installs
51. ▌
    Spectral Database Matching · holobiomicslab

    Use when when you have MS2 .mzML format data files from untargeted metabolomics or proteomics experiments and need to perform an initial annotation step by matching experimental spectra against known reference libraries (GNPS, HMDB, MassBank) with a defined precursor mass tolerance (e.g., 15 ppm).
    6 installs
52. ▌
    Spectral Query Formulation · holobiomicslab

    Use when you have a query mass spectrum (or representative metabolite spectrum from public data) and need to identify it by searching against large spectral reference databases (millions to billions of spectra).
    5 installs
53. ▌
    File Format Validation · holobiomicslab

    Use when when you have authored a custom .csv lipid library and need to confirm it adheres to LipidMatch's documented schema before placing it in the designated library directory and running the library integration/loading step.
    6 installs
54. ▌
    Git Repository Cloning · holobiomicslab

    Use when you need to obtain source code or computational workflows from a published repository, particularly when the article explicitly provides a GitHub URL and documents that the repository contains code required to regenerate published results (e.g., simulation outputs, figures, or tables).
    5 installs
55. ▌
    R Cmd Check Validation · holobiomicslab

    Use when after installing an R package from a non-CRAN repository (such as r-universe) to confirm the package build is sound, dependencies resolve correctly, and no warnings or errors are introduced. Use it as a gate before relying on the package for downstream analysis or distribution.
    6 installs
56. ▌
    Toml Format Validation · holobiomicslab

    Use when you are setting up a new LipoCLEAN analysis for MS-DIAL output and need to create a configuration file tailored to your MS-DIAL version (4 or 5).
    6 installs
57. ▌
    Auc Metric Calculation · holobiomicslab

    Use when when you have computed true positive rate (TPR) and false positive rate (FPR) values across classification probability thresholds from predicted probabilities and true labels, and need to generate a single aggregate performance metric for model comparison or reporting in omics.
    12 installs
58. ▌
    Effect Size Estimation · holobiomicslab

    Use when after performing statistical tests (t-test, Mann–Whitney U, ANOVA) on matched lipid abundance data grouped by experimental condition, to report not only whether differences are statistically significant but also the magnitude and direction of change.
    7 installs
59. ▌
    Excel Template Parsing · holobiomicslab

    Use when when you have an Excel file downloaded from InjectionDesign's template or conforming to its schema, and you need to extract sample identifiers, classification dimensions (up to three), and QC type labels (Blank QC, Solvent QC, Pooled QC, Long-Term Reference QC, or custom) into a structured.
    6 installs
60. ▌
    Factorial Design Anova · holobiomicslab

    Use when you have a LipidomicsExperiment object with samples grouped by a categorical variable (e.
    5 installs
61. ▌
    Hdf5 Schema Validation · holobiomicslab

    Use when after converting proprietary vendor mass spectrometry files (Thermo .raw, Agilent .d, Bruker .d, or mzML) to MZA HDF5 format using the MZA executable.
    5 installs
62. ▌
    Imzml Metadata Parsing · holobiomicslab

    Use when you have received paired .imzML (XML metadata) and .ibd (binary data) files from an Imaging Mass Spectrometry instrument and need to discover the imaging geometry, m/z calibration, and scan coordinate system before extracting mass images or computing total ion chromatograms (TIC).
    6 installs
63. ▌
    Ion Feature Extraction · holobiomicslab

    Use when you have raw mass-spectrometry data files (mzML, mzXML, or vendor formats) from untargeted metabolomics experiments and need to identify and quantify differential metabolic ion peaks.
    7 installs
64. ▌
    JSON Format Conversion · holobiomicslab

    Use when when you have extracted file metadata or scan summaries as R list objects from .raw files using readFileHeader(), readIndex(), or readSpectrum(), and need to persist them to disk, share them across systems, or feed them into downstream tools that consume JSON (e.
    6 installs
65. ▌
    Kegg Database Querying · holobiomicslab

    Use when you have identified two or more organisms (via their KEGG organism codes, e.g., 'hsa' for Homo sapiens) and need to retrieve their complete metabolic pathway and reaction datasets as a prerequisite for network reconstruction or comparative metabolic analysis.
    5 installs
66. ▌
    Lipid Library Curation · holobiomicslab

    Use when you have obtained MobiLipid or a similar IM-MS lipidomics package that bundles a CCS reference library for labeled lipids, and you need to verify library integrity, validate that all expected lipid species are present with plausible numeric CCS values, and prepare a canonical curated.
    8 installs
67. ▌
    Lipidomics Data Mining · holobiomicslab

    Use when when you have quantitative lipidomics data (either from Skyline CSV export or numerical matrix format) with sample annotations and a biological grouping variable (e.
    7 installs
68. ▌
    Mzml Output Validation · holobiomicslab

    Use when after running AirdPro's CLI conversion pipeline (run-cli.sh with -i and -o arguments) to confirm the vendor raw file conversion to mzML has succeeded.
    5 installs
69. ▌
    Peak Table Compilation · holobiomicslab

    Use when after peak detection has been applied to untargeted or targeted mass spectrometry data and peaks have been matched against metabolite databases and reference spectra.
    6 installs
70. ▌
    Smiles Format Handling · holobiomicslab

    Use when when you have molecular structures in proprietary or non-standard formats (e.
    4 installs
71. ▌
    Software Smoke Testing · holobiomicslab

    Use when after successful compilation or artifact generation (e.g., after `mvn clean package`, `make`, or `python setup.py build`) and before promoting the artifact to testing, distribution, or end-user deployment.
    7 installs
72. ▌
    Uml Diagram Generation · holobiomicslab

    Use when when you have access to a modular object-oriented codebase and need to map its class hierarchy, composition relationships, and extension mechanisms (abstract classes, interfaces, factory patterns) in order to guide developers toward specific modules to improve or extend.
    7 installs
73. ▌
    Migration Time Extraction · holobiomicslab

    Use when you have OnDiskMSnExp CE-MS objects with known marker compounds (e.g., Paracetamol EOF marker) and need to extract their migration time positions to establish a calibration reference.
    3 installs
74. ▌
    Signal Quality Assessment · holobiomicslab

    Use when you have imported raw MSI spectral data in imzML format and need to improve signal-to-noise ratio before performing mean intensity calculations, ROI analysis, or database annotation.
    6 installs
75. ▌
    Ei Spectrum Normalization · holobiomicslab

    Use when you have raw electron ionization mass spectra (m/z and intensity pairs) that you intend to match against a library using the Identity (EI Normal) or Similarity (EI Simple) algorithms. Different ionization runs and instrument conditions produce spectra with varying absolute intensities;
    5 installs
76. ▌
    Library Object Validation · holobiomicslab

    Use when after applying mspcompiler pipeline transformation steps (e.g., reorganize_mona, assign_smiles, assign_ri, read_multilibs, separate_polarity, complete_mgf) to confirm the operation succeeded without data loss or structural corruption.
    6 installs
77. ▌
    Tandem Ms Peak Assignment · holobiomicslab

    Use when when you have experimental tandem MS spectra (with peak m/z and intensity values) and need to annotate each peak with its chemical formula (SCARF) or molecular fragment origin (ICEBERG), particularly for structural elucidation campaigns where understanding the fragmentation pathway is.
    6 installs
78. ▌
    Candidate Formula Ranking · holobiomicslab

    Use when you have an observed m/z value from mass spectrometry imaging and need to assign a chemical formula with high confidence.
    5 installs
79. ▌
    Candidate Match Retrieval · holobiomicslab

    Use when when you have a query MS/MS spectrum (m/z and intensity pairs) and need to find potential structural analogues or exact matches in a large spectral library. Apply this skill after preprocessing your spectra (e.
    6 installs
80. ▌
    Chemical Ontology Mapping · holobiomicslab

    Use when your analysis has produced both in silico structural predictions (e.
    8 installs
81. ▌
    Conditional Routing Logic · holobiomicslab

    Use when you have received a USI string (formatted as mzspec:<namespace>:<resource>:<identifier_type>:<identifier>) and need to retrieve the corresponding mass spectrum data.
    6 installs
82. ▌
    Custom Database Searching · holobiomicslab

    Use when when you have LC-MS/MS data in Mascot Generic Format (mgf) files and need to identify compounds against a curated custom database (e.g., prepared using CFM-id for a specific metabolite class or organism) rather than relying on in-built commercial spectral libraries alone.
    3 installs
83. ▌
    Data Integrity Assessment · holobiomicslab

    Use when immediately after importing raw mass spectrometry data from supported formats (mzML, mzXML, msp, metabolomics-USI, MGF, JSON) and before performing spectral similarity comparisons or statistical analysis.
    6 installs
84. ▌
    Feature Table Gap Filling · holobiomicslab

    Use when you have an aligned feature table from untargeted LC-MS with missing intensity values (NA or zero entries) for features that are present in some samples but fell below detection threshold in others.
    6 installs
85. ▌
    Formula Database Querying · holobiomicslab

    Use when you have calibrated m/z peak lists, configured adduct transformations (e.g., [M+H]+, [M+Na]+, [M-H]−), and need to annotate peaks with molecular formulae from KEGG, PubChem, or custom databases.
    4 installs
86. ▌
    Gensim Pipeline Execution · holobiomicslab

    Use when you have an MS2 spectral file (MGF format) from LC-MS/MS metabolomics analysis and need to discover latent topics across fragmentation patterns for unsupervised characterization. Use it as the prerequisite step before topic visualization in the ms2lda web interface.
    6 installs
87. ▌
    Imzml File Format Parsing · holobiomicslab

    Use when you have acquired imaging mass spectrometry (IMS) data stored in imzML format (accompanied by an .ibd ion binary data file) and need to load it into a Python-based spatial metabolomics workflow.
    5 installs
88. ▌
    Infoence Loss Composition · holobiomicslab

    Use when when training embeddings from MS/MS spectra data where you need both discriminative power (to distinguish similar spectra) and reconstruction accuracy (to preserve peak and metadata information).
    7 installs
89. ▌
    Input Type Classification · holobiomicslab

    Use when a web application receives mass spectrometry data through heterogeneous identifier formats and must automatically determine which loader (Task ID, USI, or FBMN) should process the input.
    6 installs
90. ▌
    Ion Mobility Peak Picking · holobiomicslab

    Use when when you have extracted ion mobilograms from DIA-MS experiments and need to automatically identify peak boundaries and apex positions in the ion mobility dimension.
    5 installs
91. ▌
    Isotope Adduct Annotation · holobiomicslab

    Use when after completing peak picking, sample alignment, and before final MS2 spectrum extraction, when you have identified individual ion peaks across samples and need to link isotopic variants (e.
    5 installs
92. ▌
    Isotopic Pattern Matching · holobiomicslab

    Use when after feature detection has produced candidate formula–adduct pairs and their corresponding m/z values, but before final compound identification.
    7 installs
93. ▌
    Khipu Grid Offset Mapping · holobiomicslab

    Use when you have a set of ions detected in LC-MS data that are suspected to derive from the same neutral compound via different isotope and adduct patterns. Use this skill after ions have been matched to isotope and adduct patterns and assigned to grid positions (isotope row and adduct column).
    6 installs
94. ▌
    Lc Ms Peak Quantification · holobiomicslab

    Use when after a CNN-Transformer peak detection model has been run on LC-MS ROI images and has output predicted peak locations with confidence scores.
    5 installs
95. ▌
    Lcms Data Format Handling · holobiomicslab

    Use when you have raw LC-MS data from a vendor instrument or in netCDF format and need to ingest it into SLAW or similar untargeted LC-MS workflows. Use this skill when raw data must be converted to mzML, validated for centroiding and polarity uniformity, and prepared for peak-picking dispatch.
    7 installs
96. ▌
    Library Import Validation · holobiomicslab

    Use when you have raw .msp spectral library files (e.g., from MassBank or custom sources) and need to convert them into a structured CSV library format for use in metabolite annotation.
    10 installs
97. ▌
    Lipid Coverage Assessment · holobiomicslab

    Use when after hierarchical fragmentation library matching has produced candidate lipid annotations for a multi-species LC-MS/MS dataset, and you have applied retention time–based filtering rules (e.
    6 installs
98. ▌
    Metabdata Object Handling · holobiomicslab

    Use when you have a raw peak-picked untargeted LC-MS dataframe with columns containing mass-to-charge (m/z), retention time (rt), feature identifiers, adduct annotations, and sample measurements in non-standard column names or mixed column sets.
    8 installs
99. ▌
    Metabolic Network Mapping · holobiomicslab

    Use when you have an untargeted metabolomics feature table (with m/z, retention time, and statistical significance values) and want to predict which metabolic pathways and functional modules are active in your sample, but you lack confident metabolite identifications or wish to bypass the.
    6 installs
100. ▌
     Mpactr Filter Application · holobiomicslab

     Use when you have a preprocessed peak table from tandem MS/MS data (e.
     8 installs