CovaSyn Chemistry Tools

covnmr_parse_nmr_string

Publication-style NMR text -> a structured peak list.

Paste the string as it appears in an SI or a paper, e.g.
"13C NMR (100 MHz, CDCl3): d 58.4, 18.2" or
"1H NMR (400 MHz, CDCl3): d 7.26 (d, J = 8.1 Hz, 2H), 1.25 (t, 3H)".

The nucleus is read off the header and stamped on every peak, which is
what stops a pasted 13C list from being scored against proton
predictions; text with several headers comes back in `peaks_by_nucleus`.
Multi-step: pass `peaks` to covnmr_verify (one structure) or
covnmr_rank_candidates (several). Bounded at `max_peaks` (1000);
`n_parsed` is the untruncated count. Read `warnings`: every value that was
repaired (e.g. "149. 6" read as 149.6) or dropped is named there, so a
clean parse has `warnings: []`.

Input Schema

Name	Required	Description	Default
`text`	Yes
`api_key`	No
`max_peaks`	No

Output Schema

Name	Required	Description	Default
`result`	Yes

Schema Changelog

Changes observed during successful MCP inspections.

First observedOct 9, 2026

TDQS

A4.7/5.0

Behavior5/5

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

No annotations are provided, so the description carries the full burden and does so: it discloses nucleus inference from the header, the `peaks_by_nucleus` shape for multi-header text, the 1000-peak truncation boundary with `n_parsed` as the untruncated count, and that silent repairs/drops are named in `warnings`. That is precisely the behavior an agent needs to interpret results.

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-loaded one-line summary followed by examples, routing, and behavioral notes — each block earns its place. It runs long and the final block packs several distinct facts (truncation, multi-step, warnings) into dense prose, but nothing is filler.

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-shape explanation is optional, yet the description still covers nucleus stamping, truncation, and warnings. The only real gaps are authentication expectations for `api_key` and whether API-key setup is required before calling.

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

Parameters4/5

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

Schema description coverage is 0%, so the description must compensate; it explains `text` (paste verbatim as in an SI) and `max_peaks` (bounded at 1000, with truncation semantics tied to `n_parsed`). The `api_key` parameter is left entirely undocumented in both schema and description.

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?

Opens with a precise verb+resource mapping: "Publication-style NMR text -> a structured peak list." It is instantly distinguishable from siblings like covnmr_verify or covnmr_rank_candidates, which are explicitly named as downstream consumers rather than peers.

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?

Gives concrete input examples (13C and 1H header formats) and then routes the agent: "pass `peaks` to covnmr_verify (one structure) or covnmr_rank_candidates (several)." Alternatives and the condition selecting each are stated outright, not inferred.

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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