neutron-skills

Plan an experiment's accessible momentum-transfer (Q) range from wavelength, scattering angle, and detector geometry. Use when a user asks about choosing instrument configuration, Q_min/Q_max, or length scales probed in any neutron scattering experiment.

Guide calibration and geometry corrections for SNAP reduction workflows. Use when selecting or validating instrument calibrations, detector masks, and geometry-sensitive parameters before reduction.

Interpret SNAP high-pressure powder-diffraction data at the analysis stage. Use when performing or reviewing Rietveld analysis of data collected with a paris-edinburgh cell, diamond anvil cell (DAC), or cylinder cell, and you need to identify and handle dataset-specific challenges: pressure-driven structural variation, multiple phases, microstructural effects, strain, low signal statistics, background, and cell-component Bragg scattering.

Rapidly orient a developer or coding agent to the SNAPRed architecture, coding conventions, and extension points. Use when writing new recipes, services, or hooks; debugging calibration or reduction workflows; or consuming SNAPRed as a backend from an external wrapper such as SNAPWrap.

Sanity-check a Rietveld refinement of neutron powder-diffraction data. Use when reviewing refinement strategy, diagnosing poor fit, setting parameter release order, or evaluating goodness-of-fit metrics (Rwp, chi-squared).

Rapidly orient a developer or coding agent to the SNAPWrap architecture, module inventory, and scripting conventions. Use when writing reduction scripts, integrating SNAPWrap with SNAPRed, working with sample-environment masking utilities, or building tooling that consumes the SNAPWrap API.

Adapt SNAP powder-diffraction reduction workflows for sample-environment-driven special cases. Use when a paris-edinburgh cell, diamond anvil cell (DAC), or cylinder cell is in the beam and the standard reduction sequence requires environment-specific masking, notching, or background handling.

Diagnose quality issues in SNAP reduction outputs and propose targeted fixes. Use when reduced diffraction products show artifacts, unstable baselines, inconsistent normalization, or unexpected peak behavior.

Guide an agent through the end-to-end SNAP powder-diffraction reduction sequence and its key decision points. Use when deciding the sequence of preprocessing, calibration, normalization, and output products for SNAP diffraction data.

Write a refl1d Python model script (a `problem.py` file) that loads neutron reflectometry data, builds a layered sample, and defines a `FitProblem` that refl1d/bumps can fit. Covers the three common fitting cases (single combined file, multi-segment co-refinement, multi-sample co-refinement), parameter-range conventions, and the QProbe / make_probe APIs. USE FOR: drafting a new model script or reviewing one. DO NOT USE FOR: running the fit itself or reducing raw data to R vs Q.

Baseline domain knowledge for neutron reflectometry modeling and fitting with refl1d. Provides common material SLD values, chi-squared interpretation guidelines, model complexity rules (BIC), roughness constraints, refl1d API conventions, and general constraints that apply to ALL reflectometry analyses.

Write Python scan scripts for the EQSANS (Extended Q-range Small-Angle Neutron Scattering) instrument at the SNS. Use when the user needs to acquire SANS data on EQSANS, configure sample environments, set wavelength bands, or drive motors for a run sequence.