leonarski_fandClaude Opus 5
6468dd13be
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--azint-only and --scale are replaced by --mode mx|azint|scale|calibration, with mx the default. The old flags are removed rather than aliased. Calibration mode fits the detector geometry - PONI x/y, the two tilts and the distance - to a calibrant's powder rings and writes a pyFAI .poni alongside a report of how far each parameter moved from the header. Bragg data constrain the beam centre worst, because it is gauge-coupled to the crystal orientation; a powder ring has no orientation to couple to. --calibrant takes lab6, agbh, ceo2, si or ice. A calibrant is a list of ring positions rather than a unit cell, because hexagonal ice is P6_3/mmc: rings enumerated from its cell would include systematically absent ones. So the crystalline standards generate their rings from a cell and ice carries the measured list, and RingsFromAzimuthalProfile, GuessGeometry and OptimizeGeometry all take ring q. The calibrant table is shared with the viewer's powder panel, which previously carried its own copy. --calibration picks how the rings are measured: rings (default) sums the (q x azimuth) profile over every processed image and fits the arcs in it; spots pools the found spots and fits those. Both use the whole run, with -s/-e/-t selecting images. rings defaults --azim-phi-bins to 32, since a profile with one azimuthal bin has averaged the ring over every direction and cannot locate it. Two fixes this exposed: The extraction window is capped at half the gap to the neighbouring ring. The background under a peak is taken from the ends of its window, so a window wider than half that gap measures the next ring's flank as this ring's background - and hexagonal ice has three rings within 0.06 1/A. Ice calibration was 3.5 px out before this and 0.29 px after; LaB6 is unaffected. RingOptimizer holds rot1/rot2 fixed when only one ring is present. A tilt and a centre offset both move a ring as cos(phi) and are separated only by the tilt's amplitude growing as the ring radius squared, so on a single ring they are exactly degenerate. Measured. LaB6 at five distances: the fitted direct beam is within 0.36 px of an independent implementation out to 300 mm, and D = -0.046 + 1.000788 dtz with an rms of 0.011 mm. At 500 mm one ring is fully on the detector and a second only clips the corners, which is not enough to constrain a tilt - restricting the q range to the resolved ring recovers 0.06 px. Ice: 5.53 -> 0.29 px on one crystal and 4.71 -> 0.80 px on another, against XDS's refined direct beam. On an ice-free crystal the fit is worse than the header, which is the correct outcome. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
68 lines
2.8 KiB
Markdown
68 lines
2.8 KiB
Markdown
# Tools
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Besides the main services ([`jfjoch_broker`](JFJOCH_BROKER.md),
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[`jfjoch_writer`](JFJOCH_WRITER.md), [`jfjoch_viewer`](JFJOCH_VIEWER.md)), the repository ships a
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number of command-line tools. Each prints its own usage when run with `-h` or without arguments.
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## Data analysis
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### rugnux
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Offline CLI tool that runs the full crystallographic analysis pipeline (spot finding, indexing,
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integration, scaling/merging) on a stored HDF5 dataset, producing a `_process.h5` file and, when
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merging, reflection files. Merging is on by default (`--no-merge` disables it). `--mode` picks what a
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run does: `mx` (the above, the default), `azint` (only azimuthal integration, no spot
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finding/indexing), `scale` (re-scale/merge the already-integrated reflections in a `_process.h5`
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without re-integrating) or `calibration` (detector geometry from a calibrant's powder rings, written
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as a `.poni` file). See [rugnux](RUGNUX.md).
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### jfjoch_extract_hkl
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Extracts reflections (HKL list) from a Jungfraujoch master file; can sum the same HKL across
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neighbouring images and compare against an XDS `INTEGRATE.HKL` reference.
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## FPGA / PCIe card management
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### jfjoch_pcie_status
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Prints detailed status information about the card. Safe to run during data collection:
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```
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./jfjoch_pcie_status /dev/jfjoch0
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```
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### jfjoch_pcie_net_cfg
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Reads and modifies the network configuration of the card's interfaces:
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```
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jfjoch_pcie_net_cfg <device name>
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Read configuration for all network interfaces of a device
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jfjoch_pcie_net_cfg <device name> <if number>|fgen
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Read configuration for a particular network interface / internal frame generator
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jfjoch_pcie_net_cfg <device name> <if number>|fgen ipv4 <IPv4 address>
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Set IPv4 address for a particular network interface / internal frame generator
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jfjoch_pcie_net_cfg <device name> <if number>|fgen direct 0|1
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Set direct mode for a particular network interface / internal frame generator
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jfjoch_pcie_net_cfg <device name> <if number>|fgen clear
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Clear Ethernet counters for a particular network interface / internal frame generator
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```
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### jfjoch_pcie_clear_net_counters
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Resets the card's Ethernet, UDP and ICMP packet counters (which otherwise run from power-on):
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```
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./jfjoch_pcie_clear_net_counters /dev/jfjoch0
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```
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## Testing, benchmarking and simulation
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### jfjoch_udp_simulator
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UDP packet simulator used to test the Jungfraujoch FPGA receiver.
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### jfjoch_fpga_test
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Exercises and benchmarks the FPGA data path and receiver. With `-H` it runs the high-level
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synthesis C model on the CPU, so no FPGA device is required.
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### jfjoch_lite_perf_test
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Performance test of the lite (CPU/GPU) analysis path — indexing, integration and optional file
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writing.
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### jfjoch_hdf5_test
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Tests single-threaded HDF5 writer performance.
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### jfjoch_simplon_test
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Minimal test client for a DECTRIS SIMPLON detector API. |