CtrlK
BlogDocsLog inGet started
Tessl Logo
SkillPublic

nmrglue

Processes calibrated one-dimensional complex NMR free-induction decays with nmrglue into phased spectra, peak candidates, and signed integration regions. Use for raw 1D NMR processing, ppm-axis verification, apodization, Fourier transformation, manual phasing, baseline correction, or reproducible spectral integration.

73

Quality

92%

Does it follow best practices?

Run evals on this skill

Adds up to 20 points to the overall score

View guide
SecuritybySnyk

Passed

No findings from the security scan

SKILL.md
Quality
Evals
Security

Quality

Content

88%Weight 40%Scale 1-5

Reviews the quality of instructions and guidance provided to agents. Good implementation is clear, handles edge cases, and produces reliable results.

A high-quality, expert-level skill body: executable commands and a runnable synthetic example, a clearly sequenced workflow with genuine validation checkpoints, and a well-signaled one-level-deep reference bundle. The residual weaknesses are minor — inline version/date commentary that could live in a pinned-command-only form or a separate section, and detailed NMRPipe ingestion contracts that could move to the validation reference.

DimensionReasoningScore

Conciseness

The body is dense and expert-level with essentially no padding — it encodes non-obvious constraints (sign conventions, failure-instead-of-clipping behavior, quantitative-NMR limits) Claude could not infer. However, it carries time-sensitive version/date commentary ("Tested with Python 3.12, nmrglue 0.12, NumPy 2.5.3, and SciPy 1.18.1", "identified itself as 0.9-dev when checked") that duplicates the pinned uv command and is not placed in an old-patterns/deprecated section, plus a few hedging sentences that could be trimmed. This fits 'efficient; minor instances of over-explanation that could be trimmed'.

4 / 5

Actionability

Fully executable guidance: a copy-paste `uv run` command with pinned package versions, a complete runnable Python snippet that generates the synthetic FID, and a concrete settings file (assets/processing.json) to copy and edit. Deliverables (spectrum.csv, report.json) are specified, matching the anchor for copy-paste ready commands covering the common cases.

5 / 5

Workflow Clarity

The six-step workflow is clearly sequenced with explicit validation checkpoints and feedback loops: "Validate with a known reference peak" (step 2), "inspect the real and imaginary spectra, and revise manual phase if needed" (step 4), "Inspect residuals and broad peaks" (step 5), and "Compare peak positions with references" (step 6), plus hard-fail behavior ("a mismatch fails instead of silently recalibrating"). This matches the top anchor with explicit validation and error-recovery loops.

5 / 5

Progressive Disclosure

The bundle structure is real and well-used: references/acquisition-and-validation.md, scripts/process_1d.py, and assets/processing.json all exist, and the reference link is well-signaled with its purpose ("for conversion boundaries, axis calibration, and quantitative limits") at one level deep. The minor gap is that dense NMRPipe header-contract detail ("FDF2TDSIZE must equal the stored complex-point count, and FDF2CENTER / FDF2ORIG must describe a canonical centered axis") is inlined in SKILL.md rather than the validation reference, fitting 'good structure; most content appropriately placed; minor organization gaps'.

4 / 5

Total

18

/

20

Passed

Description

92%Weight 40%Scale 1-5

Based on the skill's description, can an agent find and select it at the right time? Clear, specific descriptions lead to better discovery.

A strong description: it states concrete capabilities in third person, includes an explicit and detailed 'Use for' trigger clause, and carves out a distinctive niche. The only weakness is that a few natural synonyms (e.g., the 'FID' abbreviation, zero filling, line broadening) are absent from the trigger list.

DimensionReasoningScore

Specificity

The description names the domain ("calibrated one-dimensional complex NMR free-induction decays") and multiple concrete outputs — "phased spectra, peak candidates, and signed integration regions" — in third person, with no vague padding. It lists comprehensive concrete actions, matching the anchor for multiple specific concrete actions with comprehensive coverage.

5 / 5

Completeness

The first sentence explicitly answers 'what' (processes calibrated 1D complex NMR FIDs into phased spectra, peak candidates, and signed integration regions) and the second gives an explicit "Use for" clause with seven concrete trigger scenarios. This clearly matches the anchor requiring both what and when with concrete trigger phrases.

5 / 5

Trigger Term Quality

Natural trigger phrases are present ("raw 1D NMR processing", "manual phasing", "baseline correction", "reproducible spectral integration", "Fourier transformation", "ppm-axis verification") and would be said by users needing this skill. A few natural terms are missing, such as the "FID" abbreviation itself, "zero filling", "line broadening", and common file extensions, so it fits 'good keyword coverage; a few natural terms missing' rather than comprehensive synonym coverage.

4 / 5

Distinctiveness Conflict Risk

It occupies a clear niche (calibrated 1D complex FID processing with nmrglue) with distinctive triggers like "free-induction decays", "apodization", and "ppm-axis verification" that would not fire for generic data- or document-processing skills. Minimal conflict risk, matching the top anchor.

5 / 5

Total

19

/

20

Passed

Validation

100%

Checks the skill against the spec for correct structure and formatting. All validation checks must pass before discovery and implementation can be scored.

Validation — 16 / 16 Passed

Validation for skill structure

No warnings or errors.

Repository

K-Dense-AI/scientific-agent-skills

Path

skills/nmrglue/SKILL.md

Reviewed

Table of Contents

Is this your skill?

If you maintain this skill, you can claim it as your own. Once claimed, you can manage eval scenarios, bundle related skills, attach documentation or rules, and ensure cross-agent compatibility.