CELL_EXPLORER(1)

📦 version 0.13.0, in nixos 26.05, nixpkgs unstable

💅 CELL_EXPLORER(1) — the Unit Cell Explorer, bestie edition

okay so real quick before we dive in: this is from the General Commands Manual, which is the fancy lil home it lives in. welcome to it 💖

✨ NAME ✨

cell_explorer — the Unit Cell Explorer. yes that's the whole name, it's giving main character energy and honestly? deserved 👑

🦋 SYNOPSIS 🦋

cell_explorer indexing-results.stream

🌸 DESCRIPTION 🌸

okay so picture this: you've been processing a whole series of diffraction patterns with indexamajig, right? and now you've got unit cell parameters everywhere. The Unit Cell Explorer is literally here so you can visualise the distributions of all those unit cell parameters. it's giving data scientist but make it cute ✨

to start it up, just run cell_explorer followed by the filename of the stream that has your indexing results in it. that's it. that's the whole ritual 🫶

the window shows you histograms, and the layout is:

  • top row, left to right: a, b and c
  • bottom row, left to right: alpha, beta and gamma

yes bestie, six histograms, one very organised vibe 🌈

now for the fun part, the controls:

  • click and drag to move the graphs left and right 👆
  • scroll up and down to zoom in and out 🔍
  • press plus or minus to increase or decrease the number of bins used to calculate the histogram 📊
ngl, changing the binning is usually necessary when you're zooming in or out by a large amount. like, the histogram just won't look right otherwise. it's a whole thing. 💀

colours!! different colours represent the different centering types (P, A, B, C, I, F, H and R), and you can match them up using the colour key at the top right 🎨

click one of the squares in the key and that centering type's colour turns grey. click it again and it goes black. iconic little toggle behaviour, no notes 🖤

range selection is where it gets spicy 🌶️ click and drag with shift held down to select a range of values in one of the histograms. any unit cells that have that parameter outside the range you picked get shown in grey in literally all the histograms. yes, all of them. cross-histogram communication, we love to see it 💅

once you've selected a range of values, go Tools->Fit Cell (or hit Ctrl+F) to fit a normal distribution to the histogram data. it'll show you the mean and standard deviation of the parameter 📈

heads up: unit cells will not be included in the fit if they're outside the ranges you selected for the other parameters. so like, your selection is doing a lot of heavy lifting here, keep that in mind 🫡

last thing!! the indexing algorithms that are found in the stream show up as buttons at the top. click one to deselect it, click it again to select it back. unit cells from deselected algorithms won't be shown in the histograms — not even in grey. like they're just gone, ghosted, uninvited from the party 🙈

🧚 AUTHOR 🧚

this page was written by Thomas White. thank you thomas, king behaviour 👑

🐛 REPORTING BUGS 🐛

found a bug? report it to <taw@physics.org>, or swing by <http://www.desy.de/~twhite/crystfel> 💌

Copyright © 2014-2021 Deutsches Elektronen-Synchrotron DESY, a research centre of the Helmholtz Association.

cell_explorer, 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. slay, free software rights 💜

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.

fr fr, no warranty. read the license, it's important, it's not just filler text 😭

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 🔥

okay that's the whole page bestie, go forth and explore those unit cells 🦋✨

💖 CELL_EXPLORER(1) 💖 — out here living its best life in the General Commands Manual, with that © 2014-2021 DESY energy baked right in. mwah, bye 🎀

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