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jean — Molecular Biology & Genomics

read_mzml

Read-only

Read the spectra of a PSI mzML run file: each spectrum's native id, MS level, centroid or profile, scan start time and unit, base peak, total ion current, precursor (selected ion m/z, charge, intensity, isolation window) and peak arrays, interpreted as pyteomics reads mzML (validated on every spectrum of three real runs). An MS/MS spectrum it returns is what score_spectrum takes as mz, intensity and precursorCharge.

Input Schema

TableJSON Schema
NameRequiredDescriptionDefault
idNoreturn only the spectrum with this native id; empty returns every spectrum.
textYesthe mzML file's contents.
_filesNoThe project: record references shaped like _subject. Their records become library documents a tool names in sequences/parts/document; a trace or alignment is found by file name.
msLevelNoreturn only spectra at this MS level (0 returns every level).
_subjectNoThe record to act on: exactly one of sequence, accession (+source), sample (an id from list_samples) or file ({name, text} or {name, base64}); record_index picks one record of several.

Output Schema

TableJSON Schema
NameRequiredDescriptionDefault
countYesspectra returned
spectraYesone row per spectrum: id, msLevel, scanStartTime, precursors, mz, intensity

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

A4.1/5.0
Behavior4/5

Does the description disclose side effects, auth requirements, rate limits, or destructive behavior?

Annotations already declare readOnlyHint=true, destructiveHint=false and openWorldHint=false, and the description adds real context beyond them: interpretation semantics ('interpreted as pyteomics reads mzML') and validation provenance ('validated on every spectrum of three real runs'). It stops short of describing failure behavior on malformed input or memory/scale limits.

Agents need to know what a tool does to the world before calling it. Descriptions should go beyond structured annotations to explain consequences.

Conciseness4/5

Is the description appropriately sized, front-loaded, and free of redundancy?

Front-loads the action and resource, then lists the return fields compactly, ending with the downstream link to score_spectrum. The enumeration is dense but every clause carries information; no filler sentences.

Shorter descriptions cost fewer tokens and are easier for agents to parse. Every sentence should earn its place.

Completeness4/5

Given the tool's complexity, does the description cover enough for an agent to succeed on first attempt?

With an output schema present the return values need not be re-explained, yet the description accurately summarizes them, and it links to the consuming tool. Combined with rich annotations and full schema coverage, the definition is complete for correct invocation; only failure-mode behavior is absent.

Complex tools with many parameters or behaviors need more documentation. Simple tools need less. This dimension scales expectations accordingly.

Parameters3/5

Does the description clarify parameter syntax, constraints, interactions, or defaults beyond what the schema provides?

Schema description coverage is 100%, with id and msLevel already documented as filters, so the schema does the heavy lifting and baseline 3 applies. The description adds no additional param semantics (no mention of how id or msLevel interact, or the _subject/_files selection behavior).

Input schemas describe structure but not intent. Descriptions should explain non-obvious parameter relationships and valid value ranges.

Purpose5/5

Does the description clearly state what the tool does and how it differs from similar tools?

States a specific verb (Read) and resource (spectra of a PSI mzML run file), then enumerates the exact fields returned (native id, MS level, centroid/profile, scan time, base peak, TIC, precursor, peaks). This clearly separates it from format siblings like read_mgf without requiring the schema to be opened.

Agents choose between tools based on descriptions. A clear purpose with a specific verb and resource helps agents select the right tool.

Usage Guidelines4/5

Does the description explain when to use this tool, when not to, or what alternatives exist?

Gives clear context: it reads mzML and its MS/MS output is exactly what score_spectrum consumes as mz, intensity and precursorCharge, which routes the agent along a concrete workflow. It does not, however, explicitly state when NOT to use it (e.g. use read_mgf for MGF input), so no true exclusions are offered.

Agents often have multiple tools that could apply. Explicit usage guidance like "use X instead of Y when Z" prevents misuse.

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