rc179: everything on rc178 after its merge into main (#88), except the CHANGELOG
The rc178 branch continued after #88 was squash-merged; this is its content fromb9ada7914(the tree #88 squashed) to094eee31a, as one change on main. The individual commits stay on the rc178 branch: - still battery: --cold evicts each set's input from the page cache; Alvra pixel masks; manifest fixes - AGIPD: converter to one rigid panel per module, int16 photons, mask folded in; still battery reads the converted sets - DetectorModules: panel look-up by id, plane -> panel, plane bounds and a per-pixel walk; mask size checked - tests: [PanelLayout] equivalence harness, stacked vs assembled panel layout - Dense per-pixel maps through the panel table (panel layout stage 1) - Panel id on spots and the panel table in the start message - Viewer and preview show a panel detector as it lies on the detector plane - Panel layout stage 3: per-panel spot finding (CPU+GPU, CCL) and raster algorithms on the plane raster - Panel layout stage 2: prediction and Bragg integration through the panel table - XTC reader: frames handed up as stored, streams indexed in parallel - XFEL reader: integer frames stay integer, one gain, placement by panel - EXTERNAL_TEST_DATA_STILLS.md: images used vs the entry for every set; drop "Not in the battery" - still battery: EuXFEL sets read the depositors' Cheetah CXI files directly; AGIPD converter removed - float32_to_int16.py: a non-finite pixel becomes -32768, the int16 error marker, not a zero count - CrystFEL geometry: read the pixel masks and bad regions instead of ignoring them - Panel layout stage 5: the XFEL reader hands up the stored frame and its panel table - Panel table persisted in NXmx; modulation grid and pre-scan memo key on the plane - still battery: Alvra sets take their pixel mask from the CrystFEL geometry, not --mask-good - still battery: take the deposited model as mmCIF where the RCSB has no PDB-format file - still battery: dimple gets PDB-format coordinates converted from an mmCIF-only deposition - stills fixed cost: geometry refinement and pre-scan do the same work in less wall time - stills geometry sample and trial spot finding run as many workers as the image pass - Stills integration: background ring reach measured on empty apertures, radial curvature from the whole frame - StillsPartialityRefine: the partiality width is the run's, measured on the crystals, not the prediction window's - MergeOnTheFly: capture term and multiplicative outlier band for the stills merge (both opt-in) - Stills given a cell: the written cell is the mean over the frames that are merged - Stills: the radial curvature correction decided per run on the same empty apertures - StillsPartialityRefine: measure the run width only on shells with signal - Stills pre-scan: report the paired z of the radial-correction comparison - module placement: the five concurrent fits each keep every thread - still battery: score R-free against the deposited data through the same dimple protocol - still battery: the R-free target is the lower of the deposition's dimple and published values - Stills: background clip follows the radial curve; signal disk from the lattice spacing - Stills keep an overloaded observation as a lower bound instead of dropping it - Stills: drop the lattice-spacing signal disk; the correction decision back on the plain clip - battery: R-free against the deposition without refinement only, one protocol for rotation and stills - still battery: EuXFEL sets run on a 2,000-image subset for now - stills geometry refinement: fit the detector distance and the cell together - stills geometry refinement: a distance given with --detector-distance is held in the joint fit - Metal integration engine: back to its panel-s5 kernels; Mac stills keep the old clip, no saturation count - Metal integration test: the CPU comparison runs on a rotation experiment - Stills: kept overloads go back to the drop where they are not concentrated at low resolution - stills distance search: an absolute 30-3000 mm scan, a sample found without d-limits, the fit iterated - battery results: XFEL still battery 20261022-1358 on rc1780cf62452c- 12 sets, cold, R_free unrefined - battery results: still summary gains the resolution of our merge and of the deposition - Pre-scan masks a pixel at the saturation limit on most frames, as one holding the error value - Stills keep an overload as a lower bound only where it has pixels at the limit; run-level gate removed - XFEL reader: a per-frame mask is read the way the frames are, its chunk inflated outside the HDF5 lock - stills distance search: every centre scanned with a wider acceptance, a larger sample where nothing indexes - rugnux usage: --beam-center-check describes the absolute 30-3000 mm stills distance scan, not the old 60-160 % grid - stills: detector tilt refined in the geometry pre-pass, kept where held-out frames agree - CLAUDE.md: the changelog is written once, just before the merge into main - condensed one-liners of what users get - broker: serve the placed model and its maps of the last rugnux live run (/rugnux/model.cif, /rugnux/map.ccp4) - frontend: Mol* viewer of the placed model and its density on the Rugnux live page - writer: _model.cif from rugnux live keeps the input model's metadata, as the served model.cif does - rugnux live maps: one unit cell centred on the model; the viewer opens on all of it - Anomalous difference map: ANOM/PHANOM in _maps.mtz, /rugnux/map.ccp4?type=anom, a magenta mesh in the viewer - Mol* viewer: open with the maps drawn within 10 A of the centre of view - Mol* viewer: aaredb's structure-viewer setup, on a black stage - rugnux: the gain of a stills file that states none is read off its single-photon peak where the background resolves photons - Mol* viewer: in line with AareDB's StructureView at its current head (8ece2c2) - ACKNOWLEDGEMENT: the web frontend's Mol* viewer follows AareDB's setup (G. Gotthard, PSI) - stills tilt decision: the modules stay where the run placed them - still battery: no distance pins and no per-set tuning flags; gain from the data except where a file's baseline hides it - battery results: rc178 6f6f69 - full still battery and full rotation battery with REFMAC - Bragg integration: a CCD rotation sweep's sigmas at the measured gain, intensities in photons - BackgroundGain: the gain of a frame that resolves photons is the spacing of its photon peaks, so a baseline left in the frame no longer hides it - ShadowFinder: measure the background's azimuthal modulation instead of predicting it from the polarization - BackgroundGain: one gain estimate for rotation and stills; the still battery no longer gives EuXFEL 152 its gain - ShadowFinder: measure the modulation robustly under a wide one-sided shadow - ShadowFinderTest: a one-sided shadow is not fitted as part of the background's modulation - ShadowFinder: back to the predicted polarization factor, in the plane the background shows - MXAnalysisAfterFPGA: the Bragg engine's edge mask in the image's layout, so raw / untransformed FPGA runs start again - battery results: still battery on rc178 e54f55 replaces the earlier rc178 still tables - XFELReader: per-frame mask and photon conversion without a library call or a branch per pixel - stills geometry trial: the hypotheses a search asks are indexed side by side - stills tilt decision: the fits start beside the pre-scan and the geometry trial - XFELReader: a deflated frame is inflated and converted a piece at a time, while it is in the cache - XFELReader: a byte-shuffled frame is unshuffled a piece at a time, a whole pixel per step - GeometryRefiner: residuals carry only the blocks a fit moves; beam and distance one block - GeometryRefiner: a spot's residual differentiates its observed and predicted halves apart - docs: EXTERNAL_TEST_DATA lists every open-arm battery set, with corrected values and counts - battery: doc_check.py cross-checks the manifests against the dataset pages - stills module placement: the placement fit gets half the threads, each held-out fit an eighth - still battery: the EuXFEL sets run on all their frames, as the published still runs did - battery results: still battery on rc178 a0ce6c, cold on a quiet machine, replaces the earlier rc178 table - macOS build: explicit size_t in the XFEL reader's row bounds; parentheses in the CPU preprocessor's select Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
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@@ -159,6 +159,8 @@ Class | Method | HTTP request | Description
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*DefaultApi* | [**preview_plot_bin_get**](docs/DefaultApi.md#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.
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*DefaultApi* | [**preview_plot_get**](docs/DefaultApi.md#preview_plot_get) | **GET** /preview/plot | Generate 1D plot from Jungfraujoch
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*DefaultApi* | [**result_scan_get**](docs/DefaultApi.md#result_scan_get) | **GET** /result/scan | Get full scan result
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*DefaultApi* | [**rugnux_map_ccp4_get**](docs/DefaultApi.md#rugnux_map_ccp4_get) | **GET** /rugnux/map.ccp4 | Get an electron-density map of the last rugnux live run
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*DefaultApi* | [**rugnux_model_cif_get**](docs/DefaultApi.md#rugnux_model_cif_get) | **GET** /rugnux/model.cif | Get the model as placed by the last rugnux live run
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*DefaultApi* | [**rugnux_status_get**](docs/DefaultApi.md#rugnux_status_get) | **GET** /rugnux/status | Get live rugnux processing status of the last collection
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*DefaultApi* | [**start_post**](docs/DefaultApi.md#start_post) | **POST** /start | Start detector
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*DefaultApi* | [**statistics_calibration_get**](docs/DefaultApi.md#statistics_calibration_get) | **GET** /statistics/calibration | Get calibration statistics
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@@ -62,6 +62,8 @@ Method | HTTP request | Description
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[**preview_plot_bin_get**](DefaultApi.md#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.
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[**preview_plot_get**](DefaultApi.md#preview_plot_get) | **GET** /preview/plot | Generate 1D plot from Jungfraujoch
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[**result_scan_get**](DefaultApi.md#result_scan_get) | **GET** /result/scan | Get full scan result
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[**rugnux_map_ccp4_get**](DefaultApi.md#rugnux_map_ccp4_get) | **GET** /rugnux/map.ccp4 | Get an electron-density map of the last rugnux live run
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[**rugnux_model_cif_get**](DefaultApi.md#rugnux_model_cif_get) | **GET** /rugnux/model.cif | Get the model as placed by the last rugnux live run
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[**rugnux_status_get**](DefaultApi.md#rugnux_status_get) | **GET** /rugnux/status | Get live rugnux processing status of the last collection
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[**start_post**](DefaultApi.md#start_post) | **POST** /start | Start detector
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[**statistics_calibration_get**](DefaultApi.md#statistics_calibration_get) | **GET** /statistics/calibration | Get calibration statistics
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@@ -4073,6 +4075,168 @@ This endpoint does not need any parameter.
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[[Back to top]](#) [[Back to API list]](../README.md#documentation-for-api-endpoints) [[Back to Model list]](../README.md#documentation-for-models) [[Back to README]](../README.md)
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# **rugnux_map_ccp4_get**
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> bytearray rugnux_map_ccp4_get(type=type)
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Get an electron-density map of the last rugnux live run
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The map of the placed model (`/rugnux/model.cif`) in CCP4 format (mode 2, float), made from the map
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coefficients written to `_maps.mtz` (FWT/PHWT, DELFWT/PHDELWT, ANOM/PHANOM). It covers one unit cell centred on the model - along an axis where
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the model reaches further than the cell, the model plus 5 A instead - sampled every d_min/3; the mean and
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RMS in its header are those of the unit cell, so contour levels in sigma are the usual ones.
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### Example
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* Bearer Authentication (bearerAuth):
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```python
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import jfjoch_client
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from jfjoch_client.rest import ApiException
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from pprint import pprint
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# Defining the host is optional and defaults to http://localhost:5232
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# See configuration.py for a list of all supported configuration parameters.
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configuration = jfjoch_client.Configuration(
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host = "http://localhost:5232"
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)
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# The client must configure the authentication and authorization parameters
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# in accordance with the API server security policy.
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# Examples for each auth method are provided below, use the example that
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# satisfies your auth use case.
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# Configure Bearer authorization: bearerAuth
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configuration = jfjoch_client.Configuration(
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access_token = os.environ["BEARER_TOKEN"]
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)
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# Enter a context with an instance of the API client
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with jfjoch_client.ApiClient(configuration) as api_client:
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# Create an instance of the API class
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api_instance = jfjoch_client.DefaultApi(api_client)
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type = 2fofc # str | `2fofc`: the 2mFo-DFc map; `fofc`: the mFo-DFc difference map; `anom`: the anomalous difference map, (F(+) - F(-)) on the model phases less 90 degrees, where the merge kept the Bijvoet pairs (`anomalous_map` in `/rugnux/status`) (optional) (default to 2fofc)
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try:
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# Get an electron-density map of the last rugnux live run
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api_response = api_instance.rugnux_map_ccp4_get(type=type)
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print("The response of DefaultApi->rugnux_map_ccp4_get:\n")
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pprint(api_response)
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except Exception as e:
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print("Exception when calling DefaultApi->rugnux_map_ccp4_get: %s\n" % e)
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```
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### Parameters
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Name | Type | Description | Notes
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------------- | ------------- | ------------- | -------------
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**type** | **str**| `2fofc`: the 2mFo-DFc map; `fofc`: the mFo-DFc difference map; `anom`: the anomalous difference map, (F(+) - F(-)) on the model phases less 90 degrees, where the merge kept the Bijvoet pairs (`anomalous_map` in `/rugnux/status`) | [optional] [default to 2fofc]
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### Return type
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**bytearray**
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### Authorization
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[bearerAuth](../README.md#bearerAuth)
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### HTTP request headers
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- **Content-Type**: Not defined
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- **Accept**: application/octet-stream, text/plain
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### HTTP response details
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| Status code | Description | Response headers |
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|-------------|-------------|------------------|
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**200** | Map | - |
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**400** | Unknown map type | - |
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**401** | The current dataset is protected and no valid bearer token was presented. | - |
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**404** | The last rugnux live run placed no model or made no maps, or (`anom`) has no Bijvoet pairs | - |
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[[Back to top]](#) [[Back to API list]](../README.md#documentation-for-api-endpoints) [[Back to Model list]](../README.md#documentation-for-models) [[Back to README]](../README.md)
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# **rugnux_model_cif_get**
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> bytearray rugnux_model_cif_get()
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Get the model as placed by the last rugnux live run
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The model placed against the data by molecular replacement or validation, as mmCIF - the same text as the
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`_model.cif` file written beside the data: the data's cell and space group, with the input model's own
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metadata (entities, sequences, references, authors, software) kept. Kept as long as `/rugnux/status`.
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### Example
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* Bearer Authentication (bearerAuth):
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```python
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import jfjoch_client
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from jfjoch_client.rest import ApiException
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from pprint import pprint
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# Defining the host is optional and defaults to http://localhost:5232
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# See configuration.py for a list of all supported configuration parameters.
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configuration = jfjoch_client.Configuration(
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host = "http://localhost:5232"
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)
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# The client must configure the authentication and authorization parameters
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# in accordance with the API server security policy.
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# Examples for each auth method are provided below, use the example that
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# satisfies your auth use case.
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# Configure Bearer authorization: bearerAuth
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configuration = jfjoch_client.Configuration(
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access_token = os.environ["BEARER_TOKEN"]
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)
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# Enter a context with an instance of the API client
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with jfjoch_client.ApiClient(configuration) as api_client:
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# Create an instance of the API class
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api_instance = jfjoch_client.DefaultApi(api_client)
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try:
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# Get the model as placed by the last rugnux live run
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api_response = api_instance.rugnux_model_cif_get()
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print("The response of DefaultApi->rugnux_model_cif_get:\n")
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pprint(api_response)
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except Exception as e:
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print("Exception when calling DefaultApi->rugnux_model_cif_get: %s\n" % e)
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```
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### Parameters
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This endpoint does not need any parameter.
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### Return type
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**bytearray**
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### Authorization
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[bearerAuth](../README.md#bearerAuth)
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### HTTP request headers
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- **Content-Type**: Not defined
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- **Accept**: chemical/x-mmcif, text/plain
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### HTTP response details
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| Status code | Description | Response headers |
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|-------------|-------------|------------------|
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**200** | Placed model | - |
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**401** | The current dataset is protected and no valid bearer token was presented. | - |
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**404** | The last rugnux live run placed no model | - |
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[[Back to top]](#) [[Back to API list]](../README.md#documentation-for-api-endpoints) [[Back to Model list]](../README.md#documentation-for-models) [[Back to README]](../README.md)
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# **rugnux_status_get**
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> RugnuxLiveStatus rugnux_status_get()
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@@ -7,6 +7,8 @@ Live rugnux processing of the last collection; kept until the next collection st
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Name | Type | Description | Notes
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------------ | ------------- | ------------- | -------------
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**state** | **str** | |
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**placed_model** | **bool** | The run placed the model: it can be fetched from `/rugnux/model.cif` and its maps from `/rugnux/map.ccp4`. |
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**anomalous_map** | **bool** | The merge kept the Bijvoet pairs, so with the placed model there is an anomalous difference map (`/rugnux/map.ccp4?type=anom`). |
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**probe** | **str** | Answer of the early lattice probe on the first 60 degrees; empty until it answers |
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**probe_s** | **float** | When the probe answered, since the first image | [optional]
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**start_to_first_image_s** | **float** | From the START message to the first image; set once the first image arrives | [optional]
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