This is an UNSTABLE release. It includes many experimental features, as well as many AI generated fixes. We recommend using rc.152 for production use. * rugnux: Add `--model model.pdb` - score the merged data against an atomic model and compute initial maps. It reports R-work/R-free (scaling the model to the observed amplitudes with an overall scale, an anisotropic B and a flat bulk solvent - the standard few-parameter model, so a batch of maps stays directly comparable) and writes 2Fo-Fc / Fo-Fc electron-density maps (CCP4) plus a map-coefficient MTZ. The structure itself is not refined; the model is only re-fractionalised into the data cell. * rugnux: The merged reflection output now carries French-Wilson amplitudes (|F| and its sigma) next to the intensities - MTZ `F`/`SIGF`, mmCIF `_refln.F_meas_au`, and the text HKL - computed with the correct centric/acentric Wilson prior and epsilon multiplicity, so a downstream program (e.g. phenix.refine) can refine against amplitudes. The intensity columns are unchanged. * rugnux: R-free test-set flags are now assigned deterministically and consistently across symmetry - a Bijvoet pair I(+)/I(-) is never split between the work and free sets, and the assignment is a reproducible per-hkl hash that depends only on the reflection index, so every dataset of one crystal form gets the same ~5% free set (what a multi-dataset campaign such as PanDDA needs). On small data the fraction is floored so the test set stays large enough for a stable R-free (~500 reflections, capped at 10%); it stays flat at 5% on ordinary data. When a reference MTZ carries a `FreeR_flag` column its test set is imported instead, letting a whole campaign inherit one shared free set. * rugnux: A reference MTZ (`--reference-mtz`) can now fix the space group and cell for rotation data too (previously rejected), without being used to scale - the rotation merge stays self-consistent. When the crystal has an indexing (merohedral) ambiguity - a lattice symmetry higher than its Laue symmetry, e.g. P3/P4/P6/C2 - the reference also resolves it: each candidate reindexing (identity plus the twin-law cosets of the metric symmetry) is scored by its intensity correlation against the reference and the data are re-merged in the best-correlating one. This is a metric-preserving relabelling of hkl (the cell is unchanged) and a no-op for a holohedral crystal such as lysozyme. * rugnux: `--model` validation now aligns the data to the model before scoring - the observed reflections are reindexed into the model's enantiomorph when the two differ only by hand (indistinguishable from merged intensities). A merohedral indexing ambiguity is resolved against the reference MTZ when one is given (so a whole campaign shares one indexing convention); only with a model and no reference does validation fall back to fitting each candidate reindexing and keeping the lowest R-free. * rugnux: De-novo symmetry - recover a genuine high-symmetry group whose data are imperfectly scaled. Such a merge's within-orbit chi² lands just past the self-consistency bound (each real symmetry step adds a little systematic scatter), right where a merohedral twin also lands, so the chi² ratio alone cannot separate them. The candidate is now rescued when the extra intensity-proportional systematic error it invokes stays small relative to the confirmed subgroup - a genuine symmetry step gains multiplicity without inflating the merge error model's b, whereas a twin forces non-equivalent reflections together and b balloons. Fixes cubic insulin (I23 instead of I222) with no change to any other crystal in the test battery, including the twins that must stay in their lower symmetry. * Docs: Document the French-Wilson amplitude estimation, R-free flagging, reference-based space-group/ambiguity resolution, and model-based validation/maps in CPU_DATA_ANALYSIS.md. * Frontend: The status-bar pill now shows a progress bar during detector calibration (previously only during measurement), and the calibration state and its button are labelled "Calibration"/"CALIBRATE" (the internal `Pedestal` state name is unchanged for back-compatibility).Reviewed-on: #69 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
jfjoch-client
API to control Jungfraujoch developed by the Paul Scherrer Institute (Switzerland). Jungfraujoch is a data acquisition and analysis system for pixel array detectors, primarly PSI JUNGFRAU. Jungfraujoch uses FPGA boards to acquire data at high data rates.
License Clarification
While this API definition is licensed under GPL-3.0, the GPL copyleft provisions do not apply when this file is used solely to generate OpenAPI clients or when implementing applications that interact with the API. Generated client code and applications using this API definition are not subject to the GPL license requirements and may be distributed under terms of your choosing.
This exception is similar in spirit to the Linux Kernel's approach to userspace API headers and the GCC Runtime Library Exception. The Linux Kernel developers have explicitly stated that user programs that merely use the kernel interfaces (syscalls, ioctl definitions, etc.) are not derivative works of the kernel and are not subject to the terms of the GPL.
This exception is intended to allow wider use of this API specification without imposing GPL requirements on applications that merely interact with the API, regardless of whether they communicate through network calls or other mechanisms.
This Python package is automatically generated by the OpenAPI Generator project:
- API version: 1.0.0-rc.159
- Package version: 1.0.0-rc.159
- Generator version: 7.20.0
- Build package: org.openapitools.codegen.languages.PythonClientCodegen
Requirements.
Python 3.9+
Installation & Usage
pip install
If the python package is hosted on a repository, you can install directly using:
pip install git+https://git.psi.ch/jungfraujoch/jungfraujoch.git
(you may need to run pip with root permission: sudo pip install git+https://git.psi.ch/jungfraujoch/jungfraujoch.git)
Then import the package:
import jfjoch_client
Setuptools
Install via Setuptools.
python setup.py install --user
(or sudo python setup.py install to install the package for all users)
Then import the package:
import jfjoch_client
Tests
Execute pytest to run the tests.
Getting Started
Please follow the installation procedure and then run the following:
import jfjoch_client
from jfjoch_client.rest import ApiException
from pprint import pprint
# Defining the host is optional and defaults to http://localhost:5232
# See configuration.py for a list of all supported configuration parameters.
configuration = jfjoch_client.Configuration(
host = "http://localhost:5232"
)
# Enter a context with an instance of the API client
with jfjoch_client.ApiClient(configuration) as api_client:
# Create an instance of the API class
api_instance = jfjoch_client.DefaultApi(api_client)
try:
# Cancel running data collection
api_instance.cancel_post()
except ApiException as e:
print("Exception when calling DefaultApi->cancel_post: %s\n" % e)
Documentation for API Endpoints
All URIs are relative to http://localhost:5232
| Class | Method | HTTP request | Description |
|---|---|---|---|
| DefaultApi | cancel_post | POST /cancel | Cancel running data collection |
| DefaultApi | config_azim_int_get | GET /config/azim_int | Get azimuthal integration configuration |
| DefaultApi | config_azim_int_put | PUT /config/azim_int | Configure azimuthal integration |
| DefaultApi | config_bragg_integration_get | GET /config/bragg_integration | Get Bragg integration configuration |
| DefaultApi | config_bragg_integration_put | PUT /config/bragg_integration | Change Bragg integration settings |
| DefaultApi | config_dark_mask_get | GET /config/dark_mask | Get settings for dark data collection to calculate mask |
| DefaultApi | config_dark_mask_put | PUT /config/dark_mask | Set configuration for dark data collection to calculate mask |
| DefaultApi | config_detector_get | GET /config/detector | Get detector configuration |
| DefaultApi | config_detector_put | PUT /config/detector | Change detector configuration |
| DefaultApi | config_file_writer_get | GET /config/file_writer | Get file writer settings |
| DefaultApi | config_file_writer_put | PUT /config/file_writer | Change file writer settings |
| DefaultApi | config_image_format_conversion_post | POST /config/image_format/conversion | Configure format for data collection with full conversion |
| DefaultApi | config_image_format_get | GET /config/image_format | Get image output format |
| DefaultApi | config_image_format_put | PUT /config/image_format | Change image output format |
| DefaultApi | config_image_format_raw_post | POST /config/image_format/raw | Configure format for raw data collection |
| DefaultApi | config_indexing_get | GET /config/indexing | Get indexing configuration |
| DefaultApi | config_indexing_put | PUT /config/indexing | Change indexing algorithm settings |
| DefaultApi | config_instrument_get | GET /config/instrument | Get instrument metadata |
| DefaultApi | config_instrument_put | PUT /config/instrument | Change instrument metadata |
| DefaultApi | config_internal_generator_image_put | PUT /config/internal_generator_image | Load binary image for internal FPGA generator |
| DefaultApi | config_internal_generator_image_tiff_put | PUT /config/internal_generator_image.tiff | Load TIFF image for internal FPGA generator |
| DefaultApi | config_mask_get | GET /config/mask | Get mask of the detector (binary) |
| DefaultApi | config_mask_tiff_get | GET /config/mask.tiff | Get mask of the detector (TIFF) |
| DefaultApi | config_roi_get | GET /config/roi | Get ROI definitions |
| DefaultApi | config_roi_put | PUT /config/roi | Upload ROI definitions |
| DefaultApi | config_select_detector_get | GET /config/select_detector | List available detectors |
| DefaultApi | config_select_detector_put | PUT /config/select_detector | Select detector |
| DefaultApi | config_spot_finding_get | GET /config/spot_finding | Get data processing configuration |
| DefaultApi | config_spot_finding_put | PUT /config/spot_finding | Configure spot finding |
| DefaultApi | config_user_mask_get | GET /config/user_mask | Detector must be Initialized. Get user mask of the detector (binary) |
| DefaultApi | config_user_mask_put | PUT /config/user_mask | Upload user mask of the detector (binary) |
| DefaultApi | config_user_mask_tiff_get | GET /config/user_mask.tiff | Detector must be Initialized. Get user mask of the detector (TIFF) |
| DefaultApi | config_user_mask_tiff_put | PUT /config/user_mask.tiff | Upload user mask of the detector |
| DefaultApi | config_zeromq_metadata_get | GET /config/zeromq_metadata | Get ZeroMQ metadata socket settings |
| DefaultApi | config_zeromq_metadata_put | PUT /config/zeromq_metadata | Set ZeroMQ metadata settings |
| DefaultApi | config_zeromq_preview_get | GET /config/zeromq_preview | Get ZeroMQ preview settings |
| DefaultApi | config_zeromq_preview_put | PUT /config/zeromq_preview | Set ZeroMQ preview settings |
| DefaultApi | deactivate_post | POST /deactivate | Prepare detector to turn off |
| DefaultApi | detector_status_get | GET /detector/status | Get detector status |
| DefaultApi | fpga_status_get | GET /fpga_status | Get status of FPGA devices |
| DefaultApi | image_buffer_clear_post | POST /image_buffer/clear | Clear image buffer |
| DefaultApi | image_buffer_image_cbor_get | GET /image_buffer/image.cbor | Get image message in CBOR format |
| DefaultApi | image_buffer_image_jpeg_get | GET /image_buffer/image.jpeg | Get preview image in JPEG format using custom settings |
| DefaultApi | image_buffer_image_tiff_get | GET /image_buffer/image.tiff | Get preview image in TIFF format |
| DefaultApi | image_buffer_start_cbor_get | GET /image_buffer/start.cbor | Get Start message in CBOR format |
| DefaultApi | image_buffer_status_get | GET /image_buffer/status | Get status of the image buffers |
| DefaultApi | image_pusher_status_get | GET /image_pusher/status | Get status of image pusher |
| DefaultApi | initialize_post | POST /initialize | Initialize detector and data acquisition |
| DefaultApi | pedestal_post | POST /pedestal | Collect dark current for the detector |
| DefaultApi | preview_pedestal_tiff_get | GET /preview/pedestal.tiff | Get pedestal in TIFF format |
| DefaultApi | preview_plot_bin_get | GET /preview/plot.bin | Generate 1D plot from Jungfraujoch and send in raw binary format. Data are provided as (32-bit) float binary array. This format doesn't transmit information about X-axis, only values, so it is of limited use for azimuthal integration. |
| DefaultApi | preview_plot_get | GET /preview/plot | Generate 1D plot from Jungfraujoch |
| DefaultApi | result_scan_get | GET /result/scan | Get full scan result |
| DefaultApi | start_post | POST /start | Start detector |
| DefaultApi | statistics_calibration_get | GET /statistics/calibration | Get calibration statistics |
| DefaultApi | statistics_data_collection_get | GET /statistics/data_collection | Get data collection statistics |
| DefaultApi | statistics_get | GET /statistics | Get general statistics |
| DefaultApi | status_get | GET /status | Get Jungfraujoch status |
| DefaultApi | trigger_post | POST /trigger | Send soft trigger to the detector |
| DefaultApi | version_get | GET /version | Get Jungfraujoch version of jfjoch_broker |
| DefaultApi | wait_till_done_post | POST /wait_till_done | Wait for acquisition done |
| DefaultApi | wait_until_running_post | POST /wait_until_running | Wait for acquisition running |
| DefaultApi | xfel_event_code_get | GET /xfel/event_code | Return XFEL event codes for the current data acquisition |
| DefaultApi | xfel_pulse_id_get | GET /xfel/pulse_id | Return XFEL pulse IDs for the current data acquisition |
Documentation For Models
- AzimIntSettings
- BraggIntegrationSettings
- BrokerStatus
- CalibrationStatisticsInner
- DarkMaskSettings
- DatasetSettings
- DatasetSettingsSmargon
- DatasetSettingsXrayFluorescenceSpectrum
- Detector
- DetectorList
- DetectorListElement
- DetectorModule
- DetectorModuleDirection
- DetectorPowerState
- DetectorSelection
- DetectorSettings
- DetectorState
- DetectorStatus
- DetectorTiming
- DetectorType
- ErrorMessage
- FileWriterFormat
- FileWriterSettings
- FpgaStatusInner
- GeomRefinementAlgorithm
- GridScan
- ImageBufferStatus
- ImageFormatSettings
- ImagePusherStatus
- ImagePusherType
- IndexingAlgorithm
- IndexingSettings
- InstrumentMetadata
- IntegrationModel
- JfjochSettings
- JfjochStatistics
- MeasurementStatistics
- PcieDevicesInner
- PixelMaskStatistics
- Plot
- PlotUnitX
- Plots
- RoiAzimList
- RoiAzimuthal
- RoiBox
- RoiBoxList
- RoiCircle
- RoiCircleList
- RoiDefinitions
- RotationAxis
- ScanResult
- ScanResultImagesInner
- SpotFindingSettings
- StandardDetectorGeometry
- TcpSettings
- UnitCell
- ZeromqMetadataSettings
- ZeromqPreviewSettings
- ZeromqSettings
Documentation For Authorization
Endpoints do not require authorization.