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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: significantly better quality of results, and faster.** A large rework of integration, scaling, merging, geometry refinement and space-group determination, together with measurements the program previously made no attempt at - the direct beam before indexing, the beam stop, the goniometer rotation scale, and the stretches of a sweep the crystal did not deliver. A rotation dataset typically gains observations at better <I/sigma> and R_meas, and every `mx` and `scale` run writes a `<prefix>_report.txt` results report modelled on XDS's `CORRECT.LP`. Many defaults moved with it: spot detection is self-calibrating, beam-stop detection and rotation geometry post-refinement are on, resolution limits default to as far as the detector reaches, and ice-ring handling engages only where the crystal is measured to have ice. * **jfjoch_viewer:** the beam-stop shadow, the detector calibration and the beam-centre measurement are reachable from "Analyze dataset"; the settings panel reports how the sample moved and how polarized the beam was; image rendering and interaction are faster. * **Performance:** bitshuffle+LZ4 images are decoded on the GPU rather than on the host, with the bitshuffle inverse fused into preprocessing so the decompressed frame is never held in device memory. * **Broker, writer, packaging and build:** image-slot lifetime and locking fixes, per-image datasets sized by the images actually written, the Debian/Ubuntu broker package renamed to `jfjoch`, and `image_analysis` compiling under MSVC again. **Breaking change to the rugnux command line:** * `--azint-only` and `--scale` are **removed**, replaced by `--mode azint` and `--mode scale`; the full pipeline is `--mode mx` and remains the default. A script passing the old flags now fails with the list of valid modes rather than silently running the wrong one. * `-t`/`--stride` is **refused on rotation data**: skipping frames cuts every reflection's rocking curve, so the combined fulls and their partiality would be measured over frames the sweep never recorded. Select a contiguous range with `-s`/`-e` instead. `--mode azint` and `--force-still` still take a stride. **Breaking changes to OpenAPI** - regenerate the client (`jfjoch-client` 1.0.0-rc.161, `frontend/src/client`) or read the affected fields as optional: * `image_scale_b` is removed from the `plot_type` enum, so a client requesting that plot now gets an error rather than a curve. * `azim_int_settings.high_q_recipA`, `spot_finding_settings.high_resolution_limit` and `spot_finding_settings.low_resolution_limit` are no longer `required`. All three mean "no limit at that end" when unset and are omitted from the response instead of carrying a placeholder value, which raises in a client generated from an rc.160-or-earlier spec. A value of 0 is still accepted and means the same thing. **Breaking changes to the stored formats** - a consumer reading these fields must treat them as optional: * The per-image image-scale B factor is no longer computed, so `/entry/MX/imageScaleBFactor` is absent from newly written HDF5 files and the corresponding key is absent from the CBOR DataMessage and END blocks. Files written by rc.160 and earlier still contain it and still open; nothing in the pipeline reads it any more. * `_reflns.jfjoch_diffrn_ISa` now carries the whole-range `1/sqrt(a*b)` that XDS's ISa denotes, and the error-model `a` and `b` are reported in XDS's convention; the strong-reflection asymptote moves to `_reflns.jfjoch_diffrn_ISa_asymptotic`. **A file written by an earlier version carries the asymptote under the plain `ISa` name.** Reviewed-on: #71 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
176 lines
9.0 KiB
Markdown
176 lines
9.0 KiB
Markdown
# jfjoch_writer
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`jfjoch_writer` is NeXus compliant HDF5 file writer.
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## Acknowledgements
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* Zdenek Matej (MAX IV)
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* Felix Engelmann (MAX IV)
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for testing and multiple improvement suggestions.
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## Running directory
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Writer needs to be running in base directory for writing files - `file_prefix` will be always relative in regard to writer running directory.
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Writer detects and protects for basic security issues, like `file_prefix` starting with a slash, or starting with `../`, or containing `/../`.
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## Usage
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Writer needs to be started as a background service, with the following command:
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```
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jfjoch_writer {options} <address to connect via ZeroMQ to DCU>
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Options:
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-T | --tcp Use raw TCP/IP instead of ZeroMQ
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-j<int> | --nproc=<int> Number of forks (only with -T)
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-d<path> | --root_dir=<path> Root directory for file writing (-R is a deprecated alias)
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-r<int> | --zmq_repub_port=<int> ZeroMQ port for PUSH socket to republish images
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-f<int> | --zmq_file_port=<int> ZeroMQ port for PUB socket for notifications on finalized files
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-w<int> | --rcv_watermark=<int> Receiving ZeroMQ socket watermark (default = 100)
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-W<int> | --repub_watermark=<int> Republish ZeroMQ socket watermark (default = 1000)
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-v | --verbose Verbose output
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-h This message
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```
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for example:
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```
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jfjoch_writer -d /data tcp://dcu-address:5400
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```
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## Status and cancellation
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When a data collection is finalized, each writer reports its outcome back to `jfjoch_broker` over
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the writer notification socket — a ZeroMQ address the broker passes in the START message
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(`writer_notification_socket` in the broker configuration) — as a JSON message with the socket
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number, run name and number, processed image count, throughput, and on failure an error string.
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That is how the broker learns that a writer could not write. On the TCP/IP image stream, failures
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additionally come back in-band as negative acknowledgements
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(see [Data streams](IMAGE_STREAM.md#tcpip-image-stream)).
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To stop a writer, send it `SIGINT`, `SIGQUIT`, `SIGTERM` or `SIGHUP`: it closes the HDF5 files it is
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writing and exits. This is only for the case where the broker was terminated or disconnected — it is
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not the normal way to end a data collection, which the broker finishes on its own.
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## Republish
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Republish creates a PULL socket on the writer, where all the messages are republished for further use by data analysis pipeline.
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Republish is non-blocking, so if there is no receiver on other end or the sending queue is full - images won't be republished.
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In case of START/END messages republishing will attempt sending for 100 ms, but if send times out it won't be retried.
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Republish functionality is optional, if republish port number is omitted this functionality is not enabled.
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## Overwriting files
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When `jfjoch_writer` creates a HDF5 file, it first adds suffix `.<random>.tmp`.
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Random value depends on current time-stamp and likely will be different from each file of the particular series.
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After file is all saved and closed, it is renamed to remove the suffix.
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By default, renaming won't happen if this would overwrite existing file.
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However, this behavior can be changed by setting `overwrite` parameter to true in the file writer configuration.
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### When the overwrite conflict is reported
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An existing output file is a fatal condition (unless `overwrite` is true). *When* it is detected
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depends on whether the transport between the broker and the writer has a back-channel to report the
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failure before acquisition starts:
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* **Direct HDF5 pusher and TCP writer (back-channel available).** The conflict is detected at
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**start**: the writer that owns the master file checks whether it already exists and refuses to
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start. The direct pusher raises the error in-process; the TCP writer returns a START-failure
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acknowledgement. Either way the broker learns immediately and aborts the data collection *before*
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the detector is armed — no images are taken and nothing is written. Only the master file is
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checked up front: in a multi-writer setup the per-image data files are staggered across writers,
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and checking them at start would make each writer inspect files it never writes (and race the
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writers that do). Data-file conflicts are instead caught by their owning writer at the final
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rename, which for the TCP path surfaces as a write-failure acknowledgement to the broker.
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* **ZeroMQ writer (no back-channel).** The ZeroMQ image stream is fire-and-forget: the writer has no
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way to tell the broker to stop, and the broker would keep streaming images regardless. The writer
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therefore does **not** fail at start. It writes the whole series to the `.<random>.tmp` files as
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usual and only fails at the final rename, leaving the `.tmp` files on disk. This is deliberate: the
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acquired images are preserved (in `.tmp` form) rather than being dropped by a writer that aborted
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mid-stream. Rename the `.tmp` files by hand, or re-run with `overwrite` set, to recover them.
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## Finalized files information
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Creates PUB socket to inform about finalized data files. For each closed file, the socket will send a JSON message, with the following structure:
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```
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{
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"filename": <string>: HDF5 data file name (relative to writer root directory),
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"nimages": <int> number of images in the file (counting from 1!),
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"file_number": <int> number of file within the acquisition,
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"sample_name": <string> name of sample,
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"run_name": <string> name of run,
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"run_number": <int> number of run,
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"experiment_group": <string> number of p-group / proposal (optional),
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"user_data": <any json> user_data,
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"beam_x_pxl": <float> beam center (X) in pixels,
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"beam_y_pxl": <float> beam center (Y) in pixels,
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"detector_distance_m": <float> detector distance (X) in m,
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"detector_height_pxl": <int> detector size (X) in pixels,
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"detector_width_pxl": <int> detector size (Y) in pixels,
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"incident_energy_eV": <float> photon energy of the X-ray beam,
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"pixel_size_m": <float> pixel size in meter (assuming pixel X == Y),
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"saturation": <int> this count and higher mean saturation,
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"space_group_number": <int> space group number (optional),
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"underload": <int> pixels with this count should be excluded,
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"unit_cell": <optinal> unit cell dimensions in Angstrom/degree {
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"a": <float>, "b": <float>, "c": <float>,
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"alpha": <float>, "beta": <float>, "gamma": <float>
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},
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}
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```
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`user_data` is defined as `header_appendix` in the `/start` operation in the `jfjoch_broker`.
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Other metadata are also carried over from `/start` operation.
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If the `header_appendix` is a string with valid JSON meaning, it will be embedded as JSON, otherwise it will be escaped as string.
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For example `header_appendix` of `{"param1": "test1", "param2": ["test1", "test2"]}`, than example message will look as follows:
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```json
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{
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"filename": "dataset_name_data_000001.h5",
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"nimages": 1000,
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"file_number": 0,
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"sample_name": "my_sample",
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"run_name": "my_run",
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"run_number": 25,
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"experiment_group": "p00001",
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"beam_x_pxl": 1200,
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"beam_y_pxl": 1500,
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"detector_distance_m": 0.155,
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"detector_height_pxl": 2164,
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"detector_width_pxl": 2068,
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"image_time_s": 0.001,
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"nimages": 2,
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"incident_energy_eV": 12400.0,
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"pixel_size_m": 7.5e-05,
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"saturation": 32766,
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"space_group_number": 96,
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"underload": -32768,
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"unit_cell": {
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"a": 78.0,
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"alpha": 90.0,
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"b": 78.0,
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"beta": 90.0,
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"c": 39.0,
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"gamma": 90.0
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},
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"user_data": {
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"param1": "test1",
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"param2": ["test1", "test2"]
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}
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}
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```
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Notifications for finalized files are optional, if notification port number is omitted this functionality is not enabled.
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## HDF5 file structure
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Jungfraujoch writes NXmx-compliant HDF5, with substantial derived metadata (spot finding, indexing,
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integration, azimuthal integration, per-image statistics and timing) stored *beyond* the NXmx
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standard. The complete file layout — master vs data files, the three format variants
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(`NXmxLegacy`, `NXmxVDS`, `NXmxIntegrated`), every NXmx field that is populated and every
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Jungfraujoch extension — is documented in [HDF5 / NeXus data format](HDF5.md).
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If data collection was configured with a `header_appendix` containing a key `hdf5` whose value is a
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JSON object of numbers and strings, those entries are written to `/entry/user`.
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## Other formats (CBF and TIFF)
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Earlier versions could also write Crystallographic Binary File (CBF, miniCBF) and TIFF images. These
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writers have been removed: Jungfraujoch now writes only NXmx HDF5. The `CBF` and `TIFF` values are
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retained in the file-format enum for wire back-compatibility, but a request to write either format
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is rejected.
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## No file option(s)
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There are two options to disable writing of files by the writer:
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* Setting `file_prefix` to empty string - this will disable sending files on ZeroMQ image socket.
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* Setting file format to `NoFile` - files are streamed over ZeroMQ socket, but `jfjoch_writer` will not write anything.
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This can be useful for debugging purposes, or if you only rely on republishing functionality of the `jfjoch_writer` |