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CrystalPilot 0.7.0b (beta)

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@mikaelhelias mikaelhelias released this 16 Oct 01:09

CrystalPilot 0.7.0b, a browser interface for XDS. Beta: check results against the XDS log files.

Fixed since 0.7.0: screw axes from the systematic absences

  • 4₁ and 6₁ axes were read as 2₁. The axial reflections of a 4-fold or 6-fold screw also fit a 2-fold pattern, and the 2-fold one was taken. With "Screw axes" ticked (the default), AutoPilot could therefore re-run CORRECT in the wrong space group, for example P4₂22 for P4₁22, P4₂ for P4₁, P6₃ for P6₁ or P4₂32 for P4₁32. The larger period is now taken when the reflections only it forbids are absent too, and each axis is tested only for the screw axes its Laue group can have.
  • P42₁2, P4₁2₁2, P4₂2₁2 and P4₃2₁2 now expect the 2₁ along a and b (h,0,0 and 0,k,0 only with even index). Before, that 2₁ was flagged as unexpected, no space group was suggested, and AutoPilot kept XDS's P422.
  • No false warning for axes without reflections. In the Systematic Absences panel an expected screw axis with no axial reflections in CORRECT.LP shows "no data" and no longer raises "the assigned space group may be incorrect". In tetragonal groups XDS lists only one of h,0,0 and 0,k,0, so this warning appeared for every P4₁2₁2 data set.
  • Axes on which no space group of the Laue group can have a screw axis (a and b in hexagonal groups, R3, R32, F23, I23 …) are no longer tested, so noise there no longer shows a "?" hint.

Checked against the symmetry operators of all 65 chiral space groups. If you processed data in a tetragonal, trigonal, hexagonal or cubic space group with AutoPilot's "Screw axes" option in 0.7.0, check the space group it chose (the AutoPilot log names it), or confirm it with POINTLESS.

Downloads

System File
Windows 10/11 CrystalPilot-Setup-0.7.0b.exe: installer (sets up WSL2; updates an existing installation)
macOS (Apple silicon and Intel) CrystalPilot-0.7.0b-mac.tar.gz: double-click to unpack, then double-click mac/Install CrystalPilot.command (the first time: right-click it, Open)
Linux, installer CrystalPilot-0.7.0b-linux.tar.gz: unpack, run bash linux/install-linux.sh
Linux, single file (no installation) crystalpilot-0.7.0b.py: copy into your XDS folder, run python3 crystalpilot-0.7.0b.py, open http://localhost:8000
All systems CrystalPilot-0.7.0b.zip: complete package (installers, program, manual)

XDS, DECTRIS neggia and CCP4 are not included; download them from their authors. See the README for step-by-step installation.

Free software under the GNU GPL v3, without any warranty.

Cite: Elias, M. (2026). CrystalPilot. Zenodo. https://doi.org/10.5281/zenodo.22756729

CrystalPilot 0.7.0 (beta)

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@mikaelhelias mikaelhelias released this 04 Oct 19:40

CrystalPilot 0.7.0, a browser interface for XDS. Beta: check results against the XDS log files.

New since 0.6.9

  • Runs outlive the page. A run goes on when the page is closed, reloaded or loses its connection. The sidebar marks the projects with a run going; opening the project shows the run in its tab again, its log from the start, then the rest as it comes, with Stop. A connection that drops for a moment is picked up by itself. When a run ends while the page is in the background, a desktop notification says so.
  • Charts zoom in the enlarged window (mouse wheel, box zoom, move, reset, PNG of the view); COLSPOT, INIT and ΔCC½ charts enlarge too.
  • Frame viewer in its own window, opened straight on the frame shown, fitted to the window.
  • AutoPilot checks a beamline file's crystal orientation. A run that kept UNIT_CELL_A/B/C-AXIS from a beamline XDS.INP and looks wrong (completeness under 50 %, or a cell edge more than 10 % off the file's cell) is processed once more without them, and the better run is kept.
  • Windows drives: every drive Windows has (network drives that are idle or disconnected, USB disks, drives connected later) appears in the folder browser and is mounted on a click; Windows paths are understood in the Environment screen; CCP4 for Windows is found on the local disks.
  • macOS: Stop and time limits end every program on a Mac too; a macOS package is new in the downloads.
  • Safer by default: a run folder that cannot be created stops the run instead of running in the project folder; the POINTLESS, AIMLESS and gemmi data-set fields start fresh in each project; with --restrict-browse the XDS, CCP4 and HDF5-reader locations, and the LIB= line of every XDS.INP, are those set where the server starts.
  • Problem reports now include the errors the program went on after without showing them; the Windows installer's log records what WSL answered when the runtime does not start.
  • A save or a finished run no longer leaves the project briefly "already running" for the next request.

Downloads

System File
Windows 10/11 CrystalPilot-Setup-0.7.0.exe: installer (sets up WSL2; updates an existing installation)
macOS (Apple silicon and Intel) CrystalPilot-0.7.0-mac.tar.gz: double-click to unpack, then double-click mac/Install CrystalPilot.command (the first time: right-click it, Open)
Linux, installer CrystalPilot-0.7.0-linux.tar.gz: unpack, run bash linux/install-linux.sh
Linux, single file (no installation) crystalpilot-0.7.0.py: copy into your XDS folder, run python3 crystalpilot-0.7.0.py, open http://localhost:8000
All systems CrystalPilot-0.7.0.zip: complete package (installers, program, manual)

XDS, DECTRIS neggia and CCP4 are not included; download them from their authors. See the README for step-by-step installation.

Free software under the GNU GPL v3, without any warranty.

Cite: Elias, M. (2026). CrystalPilot. Zenodo. https://doi.org/10.5281/zenodo.22756729

CrystalPilot 0.6.9 (beta)

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@mikaelhelias mikaelhelias released this 26 Sep 16:03

Pre-release of CrystalPilot 0.6.9, a browser interface for XDS. Beta: check results against the XDS log files.

New since 0.6.7

  • Docs tab = the illustrated manual, on the page itself with its contents list beside it; the header search still opens a manual section in its own window.
  • XDS.INP handling. The first save in a new project keeps the loaded file's detector geometry (no more INCORRECT DETECTOR SPECIFICATION in XYCORR). Loading another XDS.INP into a project that already has one now lists the lines outside the form that differ and are kept from the project's own file. The HDF5 library (LIB=) set in the Environment card is kept when an XDS.INP is loaded, unless you tick "from loaded XDS.INP"; a button puts it back.
  • Input files are cleaned before XDS reads them: a UTF-8 BOM and whole numbers written as decimals (NX= 4150.0) are removed; STRONG_PIXEL=, which current XDS rejects, is written as SIGNAL_PIXEL=.
  • XSCALE and XDSCONV forms follow the open project; a resolution cut-off can be saved and XSCALE run without an existing XSCALE.INP; XDSCONV errors shown on screen count as a failed run.
  • AutoPilot: raster scans are recognised by name and left unticked; a beamline XDS.INP with UNIT_CELL_A/B/C-AXIS gets one more run without them when the runs with them fail.
  • Frame viewer: ice rings are drawn at a size that reads at every zoom, with their width shown as a band, and can be shown on their own.
  • Run History: every run that has the best value is marked, and rows where all runs are equal have no "best".
  • Windows: the shortcuts get the CrystalPilot icon; the launcher also updates the icon of shortcuts made by older installers.

Downloads

System File
Windows 10/11 CrystalPilot-Setup-0.6.9.exe: installer (sets up WSL2; updates an existing installation)
Linux, quick start crystalpilot-0.6.9.py: copy into your XDS folder, run python3 crystalpilot-0.6.9.py, open http://localhost:8000
Linux, full install CrystalPilot-0.6.9-linux.tar.gz: unpack, run bash linux/install-linux.sh
Both CrystalPilot-0.6.9.zip: complete package (installers, program, manual)

XDS, DECTRIS neggia and CCP4 are not included; download them from their authors. See the README for step-by-step installation.

Free software under the GNU GPL v3, without any warranty.

Cite: Elias, M. (2026). CrystalPilot. Zenodo. https://doi.org/10.5281/zenodo.22756729

CrystalPilot 0.6.7 (beta)

Pre-release

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@mikaelhelias mikaelhelias released this 24 Sep 01:50

Pre-release of CrystalPilot 0.6.7, a browser interface for XDS. Beta: check results against the XDS log files.

New since 0.6.3

  • CPU cores and RAM for processing. How much of the computer XDS, XSCALE and the other programs may use is set in the XDS Config panel (4 cores by default), so the computer stays usable while they run. The core count is written into XDS.INP and XSCALE.INP (MAXIMUM_NUMBER_OF_PROCESSORS, with MAXIMUM_NUMBER_OF_JOBS= 1); the RAM limit uses Linux control groups.
  • AutoPilot sets screw axes from the systematic absences. XDS chooses the space group without screw axes (C222 for C222₁); AutoPilot now checks the axial reflections and re-runs CORRECT in the right space group. A tick box in the wizard, on by default.
  • Statistics: Table 1 with an exact R-pim and the true resolution range; one resolution cut-off definition everywhere; anisotropy with CC½ per axis.
  • Windows installer rebuilt with Inno Setup: it updates an existing installation, shows the download progress and starts without waiting for disconnected network drives. Every Windows drive is available inside WSL, and Windows paths pasted into the file browser open directly.
  • Eiger data: missing HDF5 data files are named before XDS starts.
  • Chart windows can be moved and resized; the documentation search shows all its results; CCP4 is found in more places.
  • Manual: six short videos, played on click, and new sections on the CPU and RAM settings.

Downloads

System File
Windows 10/11 CrystalPilot-Setup-0.6.7.exe: installer (sets up WSL2; updates an existing installation)
Linux, quick start crystalpilot-0.6.7.py: copy into your XDS folder, run python3 crystalpilot-0.6.7.py, open http://localhost:8000
Linux, full install CrystalPilot-0.6.7-linux.tar.gz: unpack, run bash linux/install-linux.sh
Both CrystalPilot-0.6.7.zip: complete package (installers, program, manual)

XDS, DECTRIS neggia and CCP4 are not included; download them from their authors. See the README for step-by-step installation.

Free software under the GNU GPL v3, without any warranty.

Cite: Elias, M. (2026). CrystalPilot. Zenodo. https://doi.org/10.5281/zenodo.22756729

CrystalPilot 0.6.3 (beta)

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@mikaelhelias mikaelhelias released this 14 Sep 19:03

First public build of CrystalPilot, a browser interface for XDS. Beta: check results against the XDS log files.

Downloads

System File
Windows 10/11 CrystalPilot-Setup-0.6.3.exe: installer (sets up WSL2)
Linux, quick start crystalpilot-0.6.3.py: copy into your XDS folder, run python3 crystalpilot-0.6.3.py, open http://localhost:8000
Linux, full install CrystalPilot-0.6.3-linux.tar.gz: unpack, run bash linux/install-linux.sh
Both CrystalPilot-0.6.3.zip: complete package (installers, program, manual)

XDS, DECTRIS neggia and CCP4 are not included; download them from their authors. See the README for step-by-step installation.

Free software under the GNU GPL v3, without any warranty.

Cite: Elias, M. (2026). CrystalPilot. Zenodo. https://doi.org/10.5281/zenodo.22756729