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CovaSyn Chemistry Tools

covnmr_2d_analyze

Analyze one 2D NMR experiment (HSQC/HMBC/COSY/NOESY/TOCSY/ROESY): crosspeaks and the correlations they imply.

The experiment is read from the file's own pulse sequence; pass
`experiment` only for formats that record none. A value contradicting the
file is reported in `experiment_warning` and does not override it. To use
2D data for an atom-by-atom assignment, give the files to covnmr_sudoku.

Input Schema

NameRequiredDescriptionDefault
pathYes
api_keyNo
experimentNo
max_crosspeaksNo

Output Schema

NameRequiredDescriptionDefault
resultYes

Schema Changelog

Changes observed during successful MCP inspections.

  1. First observed

TDQS

A4.4/5.0
Behavior4/5

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

With no annotations, the description does real work: it discloses that file metadata wins over the `experiment` argument and that a contradicting value surfaces in `experiment_warning` rather than being honored. It stops short of covering file-format support, failure modes for unreadable spectra, or what a truncated `max_crosspeaks` result looks like.

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

Conciseness5/5

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

Three tight paragraphs: what it does and returns, then argument-precedence rules, then routing to a sibling. No filler, and the core purpose is front-loaded in the first line.

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?

An output schema exists, so return values like `experiment_warning` needn't be detailed further, and the description covers the main behavioral surprises for a read-only analysis call. Minor gaps remain around accepted file formats and the meaning of the crosspeak cap, but nothing that would cause a wrong invocation.

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 0% across 4 parameters, so the description must compensate; it fully explains the trickiest one (`experiment`) including override semantics. But `path`, `api_key`, and especially `max_crosspeaks` (default 200, implying result truncation) get no explanation at all, leaving the practical impact of that cap invisible.

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 and resource ('Analyze one 2D NMR experiment') plus the expected output ('crosspeaks and the correlations they imply'), and enumerates the supported experiment types (HSQC/HMBC/COSY/NOESY/TOCSY/ROESY). This lets an agent distinguish it from 1D siblings like covnmr_analyze and from assignment-oriented tools like covnmr_sudoku.

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

Usage Guidelines5/5

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

Explicit conditional guidance: pass `experiment` only when the file's pulse sequence records none. It also names the alternative path — hand 2D files to covnmr_sudoku for atom-by-atom assignment — which is a clear use-vs-use-else rule.

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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