show_residuals(1)

📦 version 0.13.0, in nixos 26.05, nixpkgs unstable

🎀 NAME 🎀

okay so show_residuals — it reads spot position residuals from Millepede data and shows them to you. that's the whole vibe. 💅

✨ SYNOPSIS ✨

show_residuals -g input.geom millepede-files

🌸 DESCRIPTION 🌸

bestie. listen. show_residuals reads the calibration data that indexamajig --mille writes, and then it displays the average Bragg peak position offsets — that's predicted minus observed spot coordinates, in case you were wondering which way round it goes. 💖

to actually make sense of the Millepede data, you need the geometry file. no geometry, no interpretation, end of story. and the geometry file should match the exact one that was used for the indexamajig run that generated the data — like, the same one, don't be out here mixing and matching. 🙈

here's the catch (and it's a real one, ngl): show_residuals requires that the Millepede data contains information all the way down to the level of individual panels. otherwise it literally cannot work out which panel each peak was found on. 😭 in practice that means: you must not use indexamajig --max-mille-level to limit the size of the Millepede files. so slay, but keep your files big, iykyk.

so what does it actually show you? the spot position offsets and the average (absolute) excitation errors of the reflections, averaged across the detector's hierarchy groups. and averages get calculated at every level of hierarchy found in the Millepede files. every single one. ⭐

💅 OPTIONS 💅

  • -g input.geom, --geometry=input.geom — specify the input geometry filename. that's it. that's the option. 👑

🫶 AUTHOR 🫶

this page was written by Thomas White. king behavior, honestly. 👑

🔥 REPORTING BUGS 🔥

found a bug? don't suffer in silence, bestie. report it to taw@physics.org, or go visit http://www.desy.de/~twhite/crystfel. 🦋

Copyright © 2025 Deutsches Elektronen-Synchrotron DESY, a research centre of the Helmholtz Association. ✨

show_residuals, and this manual, are part of CrystFEL. 🎀

CrystFEL is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version. 💖

CrystFEL is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details. 🫶

You should have received a copy of the GNU General Public License along with CrystFEL. If not, see http://www.gnu.org/licenses/. 🌈

🌟 SEE ALSO 🌟

and that's the page!! 🦋 it lives in the General Commands Manual, section 1, and the footer down at the bottom is just show_residuals(1) — no version string, no date, just the program name chilling there. iconic, honestly. go read your residuals, bestie 💅✨🍓

📦 where this page comes from