Use when you have raw GC-MS output in CSV format (with columns: Component.RT, Base.Peak.MZ, Component.Area, Compound.Name, Match.Factor, File.
Use when you have raw GC-MS output from Agilent Unknowns Analysis (a .CSV with columns Component.RT, Base.Peak.MZ, Component.Area, Compound.Name, Match.Factor, File.
Use when after peak detection has been completed on individual LC-MS samples and you have a collection of detected peaks with m/z, retention time, and intensity values from each…
Use when after anchor selection and RT mapping spline construction, when you have a fitted metabCombiner object with pre-aligned feature pair candidates and need to tune the…
Use when after chromatographic peak detection on preprocessed LC-MS data when you have an xcms result object (XcmsExperiment or xcmsSet) with detected peaks and need to collapse…
Use when after mass track construction and before composite map building, when you need to align retention times across multiple LC-MS samples.
Use when after mass track extraction and alignment across samples, when preparing to detect elution peaks on composite mass tracks.
Use when after matching mass-to-charge ratios to a compound database (e.g., KEGG) and assigning adduct/fragment types, when you have an annotated feature table with retention…
Use when you have multiple LC-MS runs with the same set of targets (compounds) and observe or expect retention time drift or jitter between runs.
Use when you have detected multiple LC-MS features (m/z peaks) across a chromatogram and need to distinguish true chemical relationships (isotopes differing by 1.003 Da, adducts…
Use when when you have detected multiple features from non-targeted mass spectrometry and need to group them by putative compound origin.
Use when after componentization of parent and TP features with generateComponents(algorithm='tp'),
Use when you have LC-MS data processed through XCMS grouping that shows signs of RT drift (e.g., data acquired over extended periods or across many samples) and you suspect…
Use when when you have Thermo Orbitrap .raw files containing known reference peptides (e.
Use when you have extracted retention times from top MS1 features in an LC-MS/MS experiment and need to assess whether the gradient configuration (start and end time in minutes)…
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).
Use when you have Thermo Fisher Scientific .raw files from an LC-MS experiment and need to extract spectral features (base-peak m/z, intensity, scan-level properties) indexed by…
Use when you have xcms-processed LC-MS data with detected misaligned feature groups and need to recover the underlying raw retention time–intensity profiles for each feature and…
Use when when you have a resolved mzML or mzXML spectrum file and need to visualize or analyze the temporal intensity profile of a specific analyte (defined by its m/z value).
Use when after anchor feature pairs (m/z and retention time values) have been selected from two disparately-acquired LC-MS datasets, and you need to correct for systematic…
Use when you have two independent LC-MS untargeted metabolomic feature datasets (each with retention time and m/z values) and need to identify which features in one dataset…
Use when after sample alignment and grouping of isotopologues and adducts have been completed, when the aligned feature table contains NA or zero entries (missing intensities) for…
Use when you have multiple feature tables (CSV files) from different LC-MS analytical experiments, each containing mass, retention time, intensity, isotope, and adduct…
Use when you have LC-HRMS profile-mode data (e.g., netCDF or mzML format) and need to convert detected or reference chromatographic peaks into fixed-size 2D arrays (rt × mz…
Use when you have XCMS-aligned feature tables with retention time values and need to compute pairwise feature similarity.
Use when after drift correction and quality flagging, when you have a feature abundance matrix with associated metadata (Feature_ID, m/z, retention time) and need to identify…
Use when you have a set of small-molecule structures (SMILES, InChI, or SDF format) and need to predict their chromatographic retention times for a specific method, either to…
Use when you have a new chromatographic dataset with molecular structures (as InChI or SMILES) and experimentally measured retention times, and you want to predict retention times…
Use when you have molecular structures (SMILES or SDF format) for which you need to predict retention time in liquid chromatography, especially when your target dataset contains…
Use when you have a set of small-molecule compounds (e.g., from MS/MS library matching or database annotation) that require retention time validation or ranking to resolve…
Use when when you have a retention-time dataset (e.g., SMRT or Eawag_XBridgeC18_364)
Use when you have a list of candidate metabolites for an unknown compound (from mass-to-structure search or library matching), experimental retention time(s) from one or more…
Use when after training a GNN-RT model on preprocessed molecular graph data (from Train.py) or after applying transfer learning to an in-house dataset (from Transferlearning.
Use when when you have retention times measured on one chromatographic method and need to predict or map them to another method with minimal or no overlap in measured molecules.
Use when you have raw IM-MS data (Agilent MassHunter .d or UIMF format) and need to exclude early or late chromatographic regions—e.g., to skip dead volume, exclude blank runs,…
Use when after initializing and executing a forward pass through a dual-branch RT-Transformer model (combining fingerprint and molecular graph inputs) on a batch of molecular…
Use when when you have loaded an LC-MS spectrum file (mzML, mzXML, or equivalent) into the GNPS LCMS Visualization Dashboard and need to annotate extracted ion chromatograms with…
Use when after filtering LC-MS features by statistical significance (e.g., p-value < 0.01) and you need to link individual m/z features into structural clusters represent — from…
Use when you have mzML/mzXML chromatogram files from Thermo, Waters, or Bruker instruments and need to extract MS1 and MS2 scans matching both a target m/z value AND a known or…
Load when the user asks how to optimize nav, carousels, product tiles, FAQs, buy boxes, or UVPs with Heatmap data, or says "what should I optimize first," "how do I use my…
revenuecast — turn a real-world capability into a self-demonstrating, high-throughput generative-AI revenue engine (the "Kleos" method).
Wirtschaftsprüfer: review engagement abgrenzung - Kammerantwort mit Verfahrensstrategie, Tonlage und Belegplan; mit Live-Normencheck, Kammerlogik, Verhältnismäßigkeit, Belegplan…
Wirtschaftsprüfer: review engagement abgrenzung - Rechtsprechungscheck, stärkste Gegenansicht und Red-Team-Korrektur; mit Live-Normencheck, Kammerlogik, Verhältnismäßigkeit,…
Wirtschaftsprüfer: review engagement abgrenzung - Organisationspflichten, Prävention, Team-Anweisung und Fristenkontrolle; mit Live-Normencheck, Kammerlogik, Verhältnismäßigkeit,…
Wirtschaftsprüfer: review engagement abgrenzung - Kaltstart mit Faktenmatrix, Risikoampel und fehlenden Unterlagen; mit Live-Normencheck, Kammerlogik, Verhältnismäßigkeit,…
Use to scan everything an outsider can read — README, marketing copy, docs, public config, AND error messages, stack traces, debug pages, response headers, and logs — for leaked…
When the user wants to analyze, respond to, or improve their app reviews and ratings. Also use when the user mentions "reviews", "ratings", "negative reviews", "how to get more…
Monitor customer reviews across platforms and generate thoughtful, brand-aligned responses. Flags urgent negative reviews for priority attention, drafts responses that turn…
Analisa e otimiza arquivos SKILL.md de outras skills para elevar o nível de SEO (Search Engine Optimization) e GEO (Generative Engine Optimization).
Prompting and creative workflow guidance for Riverflow 2.0 (t2i, i2i, refSR). Use for instruction design, font control, brand typography, marketing asset prompts,…
Create content-first roadshow / pitch / report presentations from the user's OWN materials. Trigger when the user wants to make a PPT, slide deck, 演示文稿, 路演, 汇报, 提案, pitch deck, or…
Rocket framework guardrails, patterns, and best practices for AI-assisted development. Use when working with Rocket projects, or when the user mentions Rocket framework.
Use when the user needs to calculate campaign ROI, marketing ROAS, customer acquisition cost, cost per lead, lifetime value analysis, or multi-channel attribution ROI for budget…
Redesign a job role that AI now does a large part of — deliberately, instead of quietly expecting the same headcount to absorb 140% output.
Use when the task is about ROSFIX marketing, branding, creative direction, Instagram content, captions, carousels, reels, visual prompts, landing copy, brand audits, or marketing…
Migrate an existing reStructuredText (.rst) Sphinx documentation project to MyST Markdown (.md) using the rst-to-myst tool.
Use when you have centroided mzML or mzXML LC-MS files from a single batch run that exhibit systematic retention-time drift between samples, one or more designated QC reference…
Research, outline, draft, review, and optimize long-form blog posts through a repeatable Claude Code workspace instead of ad hoc chat writing.
Install a multi-runtime SEO skill pack that collects crawl, schema, performance, sitemap, robots, and content evidence before producing audit reports and action plans.
Executa um plano de docs/plans/.md em worktree isolada, com micro-commits Conventional Commits, revisão dirigida por bloco e gate de validação manual quando aplicável.