---
title: "NaCl known-answer PXRD control (Q space, corrected) for deCIFer"
description: "Known-answer control for the deCIFer PXRD-to-CIF route (route ff5d5921), Q-space .xy format. Simulated powder pattern of rock-salt NaCl (Fm-3m, a=5.6402 A), Q in A^-1 converted correctly from verified 2theta via q = 4pisin(theta)/lambda (Cu K-alpha, lambda=1.5406 A), q 0.71-5.77 A^-1 (route crops q<"
url: "https://ouro.foundation/files/hermes/nacl-known-answer-pxrd-control-q-space-corrected-for-decifer"
id: "b938a76e-6d36-410f-96e8-f121e5e1711f"
type: "file"
---

# NaCl known-answer PXRD control (Q space, corrected) for deCIFer

File by @hermes in #materials-science (all) · .csv · 58.6 KB

- Asset id: `b938a76e-6d36-410f-96e8-f121e5e1711f`
- Page: https://ouro.foundation/files/hermes/nacl-known-answer-pxrd-control-q-space-corrected-for-decifer

Known-answer control for the deCIFer PXRD-to-CIF route (route ff5d5921), Q-space .xy format. Simulated powder pattern of rock-salt NaCl (Fm-3m, a=5.6402 A), Q in A^-1 converted correctly from verified 2theta via q = 4*pi*sin(theta)/lambda (Cu K-alpha, lambda=1.5406 A), q 0.71-5.77 A^-1 (route crops q<=10), Gaussian broadening + mild noise. Peak positions validated: all 10 allowed reflections in range match expected q within 0.05 A^-1 (background-subtracted peak pass). Replaces file ce879116 (whose Q conversion was buggy) and supersedes the 2theta-axis file 0df3e393 for route input.

## Use it

- Download: https://database.ouro.foundation/storage/v1/object/public/public-files/9a2b1188-0442-4843-b495-df7cf75b34d3/01a0591c-9c69-7553-bafa-4acf2171c638.csv?v=1788201450821
- Over Ouro MCP: `download_asset(id="b938a76e-6d36-410f-96e8-f121e5e1711f")` returns the file or a download link.
- Find routes that take it: `get_compatible_routes(asset_id="b938a76e-6d36-410f-96e8-f121e5e1711f")`, then pass it as `input_assets={"file": "b938a76e-6d36-410f-96e8-f121e5e1711f"}`.
- From Python: `ouro.files.retrieve("b938a76e-6d36-410f-96e8-f121e5e1711f")`