diff --git a/backend/app/routers/sample.py b/backend/app/routers/sample.py
index 4f89135860b736c1367a6ff406679be530d286ca..b4afb5066fc56783120e9464c024416b87a02074 100644
--- a/backend/app/routers/sample.py
+++ b/backend/app/routers/sample.py
@@ -17,6 +17,7 @@ from app.schemas import (
ImageInfo,
ResultResponse,
ResultCreate,
+ Results as ProcessingResults,
)
from app.models import (
Puck as PuckModel,
@@ -374,17 +375,29 @@ def create_result(payload: ResultCreate, db: Session = Depends(get_db)):
)
-# @router.get("/results", response_model=list[ResultResponse])
-# def get_results(sample_id: int, result_id: int, db: Session = Depends(get_db)):
-# query = db.query(Results)
-#
-# if sample_id:
-# query = query.filter(Results.sample_id == sample_id)
-# if result_id:
-# query = query.filter(Results.result_id == result_id)
-#
-# results = query.all()
-# if not results:
-# raise HTTPException(status_code=404, detail="No results found")
-#
-# return results
+@router.get(
+ "/processing-results/{sample_id}/{run_id}", response_model=List[ResultResponse]
+)
+async def get_results_for_run_and_sample(
+ sample_id: int, run_id: int, db: Session = Depends(get_db)
+):
+ results = (
+ db.query(ResultsModel)
+ .filter(ResultsModel.sample_id == sample_id, ResultsModel.run_id == run_id)
+ .all()
+ )
+
+ if not results:
+ raise HTTPException(status_code=404, detail="Results not found.")
+
+ formatted_results = [
+ ResultResponse(
+ id=result.id,
+ sample_id=result.sample_id,
+ run_id=result.run_id,
+ result=ProcessingResults(**result.result),
+ )
+ for result in results
+ ]
+
+ return formatted_results
diff --git a/backend/pyproject.toml b/backend/pyproject.toml
index f6b6a796df829b1306bcbda129523b3fa56d0509..1d7ea895d5845966082cdd125c9dcce9e465c5b6 100644
--- a/backend/pyproject.toml
+++ b/backend/pyproject.toml
@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
[project]
name = "aareDB"
-version = "0.1.0a25"
+version = "0.1.0a26"
description = "Backend for next gen sample management system"
authors = [{name = "Guillaume Gotthard", email = "guillaume.gotthard@psi.ch"}]
license = {text = "MIT"}
diff --git a/frontend/src/components/ResultGrid.tsx b/frontend/src/components/ResultGrid.tsx
index cfc6228a19050f00d2a3937cfe4c6eb7575f6fe3..cd39d8d495bc002289ec81776827f415ceedd28f 100644
--- a/frontend/src/components/ResultGrid.tsx
+++ b/frontend/src/components/ResultGrid.tsx
@@ -85,6 +85,7 @@ interface TreeRow {
id: string;
hierarchy: (string | number)[];
type: 'sample' | 'run';
+ experimentId?: number;
sample_id: number;
sample_name?: string;
puck_name?: string;
@@ -209,6 +210,7 @@ const ResultGrid: React.FC<ResultGridProps> = ({ activePgroup }) => {
id: `run-${sample.sample_id}-${run.run_number}`,
hierarchy: [sample.sample_id, run.run_number],
type: 'run',
+ experimentId: run.id,
sample_id: sample.sample_id,
run_number: run.run_number,
beamline_parameters: run.beamline_parameters,
@@ -307,8 +309,10 @@ const ResultGrid: React.FC<ResultGridProps> = ({ activePgroup }) => {
return (
<RunDetails
run={params.row}
+ runId={params.row.experimentId}
+ sample_id={params.row.sample_id}
basePath={basePath}
- onHeightChange={(height: number) => handleDetailPanelHeightChange(params.row.id, height)} // Pass callback for dynamic height
+ onHeightChange={height => handleDetailPanelHeightChange(params.row.id, height)}
/>
);
}
diff --git a/frontend/src/components/RunDetails.tsx b/frontend/src/components/RunDetails.tsx
index b0914a3a6e1ab2421da1168beb1319fa8fbc9371..b837854365c1b21352bf38845a78865d15e8b71d 100644
--- a/frontend/src/components/RunDetails.tsx
+++ b/frontend/src/components/RunDetails.tsx
@@ -1,198 +1,281 @@
import React, { useEffect, useRef, useState } from 'react';
import {
- Accordion,
- AccordionSummary,
- AccordionDetails,
- Typography,
- Grid,
- Modal,
- Box
+ Accordion, AccordionSummary, AccordionDetails, Typography, Grid, Modal, Box
} from '@mui/material';
import ExpandMoreIcon from '@mui/icons-material/ExpandMore';
import './SampleImage.css';
+import { DataGridPremium, GridColDef } from "@mui/x-data-grid-premium";
+import { SamplesService } from "../../openapi";
interface RunDetailsProps {
- run: ExperimentParameters;
+ run: TreeRow;
+ runId: number;
+ sample_id: number;
basePath: string;
- onHeightChange?: (height: number) => void; // Callback to notify the parent about height changes
+ onHeightChange?: (height: number) => void;
}
-const RunDetails: React.FC<RunDetailsProps> = ({ run, onHeightChange, basePath }) => {
- const containerRef = useRef<HTMLDivElement | null>(null); // Ref to track component height
+
+interface ExperimentParameters {
+ run_number: number;
+ id: number;
+ sample_id: number;
+ beamline_parameters: BeamlineParameters;
+ images: Image[];
+}
+
+
+interface ProcessingResults {
+ pipeline: string;
+ resolution: number;
+ unit_cell: string;
+ spacegroup: string;
+ rmerge: number;
+ rmeas: number;
+ isig: number;
+ cc: number;
+ cchalf: number;
+ completeness: number;
+ multiplicity: number;
+ nobs: number;
+ total_refl: number;
+ unique_refl: number;
+ comments?: string | null;
+}
+
+const RunDetails: React.FC<RunDetailsProps> = ({ run, onHeightChange, basePath, runId, sample_id }) => {
+ const containerRef = useRef<HTMLDivElement | null>(null);
const [currentHeight, setCurrentHeight] = useState<number>(0);
- const [modalOpen, setModalOpen] = useState<boolean>(false); // For modal state
- const [selectedImage, setSelectedImage] = useState<string | null>(null); // Tracks the selected image for the modal
+ const [modalOpen, setModalOpen] = useState<boolean>(false);
+ const [selectedImage, setSelectedImage] = useState<string | null>(null);
+ const [expandedResults, setExpandedResults] = useState(false);
+ const [processingResult, setProcessingResult] = useState<ProcessingResults[] | null>(null);
- const { beamline_parameters, images } = run;
- const { synchrotron, beamline, detector } = beamline_parameters;
+ const {beamline_parameters, images} = run;
+ const {synchrotron, beamline, detector} = beamline_parameters;
+
+ useEffect(() => {
+ fetchResults(sample_id, runId); // fetching based on experimentId
+ }, [runId]);
+
+ const fetchResults = async (sample_id: number, runId: number) => {
+ try {
+ const results = await SamplesService.getResultsForRunAndSampleSamplesProcessingResultsSampleIdRunIdGet(sample_id, runId);
+
+ // Explicitly handle nested results
+ const mappedResults: ProcessingResults[] = results.map((res): ProcessingResults => ({
+ pipeline: res.result?.pipeline || 'N/A',
+ resolution: res.result.resolution ?? 0,
+ unit_cell: res.result?.unit_cell || 'N/A',
+ spacegroup: res.result?.spacegroup || 'N/A',
+ rmerge: res.result?.rmerge ?? 0,
+ rmeas: res.result?.rmeas ?? 0,
+ isig: res.result?.isig ?? 0,
+ cc: res.result?.cc ?? 0,
+ cchalf: res.result?.cchalf ?? 0,
+ completeness: res.result?.completeness ?? 0,
+ multiplicity: res.result?.multiplicity ?? 0,
+ nobs: res.result?.nobs ?? 0,
+ total_refl: res.result?.total_refl ?? 0,
+ unique_refl: res.result?.unique_refl ?? 0,
+ comments: res.result?.comments || null,
+ }));
+
+ setProcessingResult(mappedResults);
+ } catch (error) {
+ console.error('Error fetching results:', error);
+ }
+ };
+
+
+ const resultColumns: GridColDef[] = [
+ {field: 'pipeline', headerName: 'Pipeline', flex: 1},
+ {field: 'resolution', headerName: 'Resolution (Ã…)', flex: 1},
+ {field: 'unit_cell', headerName: 'Unit Cell (Ã…)', flex: 1.5},
+ {field: 'spacegroup', headerName: 'Spacegroup', flex: 1},
+ {field: 'rmerge', headerName: 'Rmerge', flex: 1},
+ {field: 'rmeas', headerName: 'Rmeas', flex: 1},
+ {field: 'isig', headerName: 'I/sig(I)', flex: 1},
+ {field: 'cc', headerName: 'CC', flex: 1},
+ {field: 'cchalf', headerName: 'CC(1/2)', flex: 1},
+ {field: 'completeness', headerName: 'Completeness (%)', flex: 1},
+ {field: 'multiplicity', headerName: 'Multiplicity', flex: 1},
+ {field: 'nobs', headerName: 'N obs.', flex: 1},
+ {field: 'total_refl', headerName: 'Total Reflections', flex: 1},
+ {field: 'unique_refl', headerName: 'Unique Reflections', flex: 1},
+ {field: 'comments', headerName: 'Comments', flex: 2},
+ ];
- // Calculate and notify the parent about height changes
const updateHeight = () => {
if (containerRef.current) {
const newHeight = containerRef.current.offsetHeight;
- if (newHeight !== currentHeight) {
+ if (newHeight !== currentHeight && onHeightChange) {
setCurrentHeight(newHeight);
- if (onHeightChange) {
- onHeightChange(newHeight);
- }
+ onHeightChange(newHeight);
}
}
};
useEffect(() => {
- updateHeight(); // Update height on initial render
- }, []);
-
- useEffect(() => {
- // Update height whenever the component content changes
const observer = new ResizeObserver(updateHeight);
- if (containerRef.current) {
- observer.observe(containerRef.current);
- }
- return () => {
- observer.disconnect();
- };
- }, [containerRef]);
+ if (containerRef.current) observer.observe(containerRef.current);
+ return () => observer.disconnect();
+ }, [containerRef.current, processingResult]);
const handleImageClick = (imagePath: string) => {
setSelectedImage(imagePath);
- setModalOpen(true); // Open the modal when the image is clicked
+ setModalOpen(true);
};
const closeModal = () => {
- setSelectedImage(null); // Clear the current image
+ setSelectedImage(null);
setModalOpen(false);
};
return (
<div
- className="details-panel" // Add the class here
- ref={containerRef} // Attach the ref to the main container
+ className="details-panel"
+ ref={containerRef}
style={{
display: 'flex',
+ flexDirection: 'column', // Stack children vertically
gap: '16px',
padding: '16px',
border: '1px solid #ccc',
borderRadius: '4px',
- alignItems: 'flex-start',
}}
>
- {/* Main Details Section */}
- <div style={{ flexGrow: 1 }}>
- <Typography variant="h6" gutterBottom>
- Run {run.run_number} Details
- </Typography>
- <Typography variant="subtitle1" gutterBottom>
- Beamline: {beamline} | Synchrotron: {synchrotron}
- </Typography>
-
- {/* Detector Details Accordion */}
- <Accordion>
- <AccordionSummary
- expandIcon={<ExpandMoreIcon />}
- aria-controls="detector-content"
- id="detector-header"
- >
- <Typography>
- <strong>Detector Details</strong>
- </Typography>
- </AccordionSummary>
- <AccordionDetails>
- <Typography>Manufacturer: {detector?.manufacturer || 'N/A'}</Typography>
- <Typography>Model: {detector?.model || 'N/A'}</Typography>
- <Typography>Type: {detector?.type || 'N/A'}</Typography>
- <Typography>
- Beam Center (px): x: {detector?.beamCenterX_px || 'N/A'}, y: {detector?.beamCenterY_px || 'N/A'}
- </Typography>
- </AccordionDetails>
- </Accordion>
+ {/* Wrap details and images together */}
+ <div style={{display: 'flex', gap: '16px', alignItems: 'flex-start'}}>
+ {/* Main Details Section */}
+ <div style={{flexGrow: 1}}>
+ <Typography variant="h6" gutterBottom>
+ Run {run.run_number} Details
+ </Typography>
+ <Typography variant="subtitle1" gutterBottom>
+ Beamline: {beamline} | Synchrotron: {synchrotron}
+ </Typography>
- {/* Beamline Details Accordion */}
- <Accordion>
- <AccordionSummary
- expandIcon={<ExpandMoreIcon />}
- aria-controls="beamline-content"
- id="beamline-header"
- >
- <Typography>
- <strong>Beamline Details</strong>
- </Typography>
- </AccordionSummary>
- <AccordionDetails>
- <Typography>Synchrotron: {beamline_parameters?.synchrotron || 'N/A'}</Typography>
- <Typography>Ring mode: {beamline_parameters?.ringMode || 'N/A'}</Typography>
- <Typography>Ring current: {beamline_parameters?.ringCurrent_A || 'N/A'}</Typography>
- <Typography>Beamline: {beamline_parameters?.beamline || 'N/A'}</Typography>
- <Typography>Undulator: {beamline_parameters?.undulator || 'N/A'}</Typography>
- <Typography>Undulator gap: {beamline_parameters?.undulatorgap_mm || 'N/A'}</Typography>
- <Typography>Focusing optic: {beamline_parameters?.focusingOptic || 'N/A'}</Typography>
- <Typography>Monochromator: {beamline_parameters?.monochromator || 'N/A'}</Typography>
- </AccordionDetails>
- </Accordion>
+ {/* Detector Details Accordion */}
+ <Accordion>
+ <AccordionSummary
+ expandIcon={<ExpandMoreIcon/>}
+ aria-controls="detector-content"
+ id="detector-header"
+ >
+ <Typography><strong>Detector Details</strong></Typography>
+ </AccordionSummary>
+ <AccordionDetails>
+ <Typography>Manufacturer: {detector?.manufacturer || 'N/A'}</Typography>
+ <Typography>Model: {detector?.model || 'N/A'}</Typography>
+ <Typography>Type: {detector?.type || 'N/A'}</Typography>
+ <Typography>
+ Beam Center (px): x: {detector?.beamCenterX_px || 'N/A'},
+ y: {detector?.beamCenterY_px || 'N/A'}
+ </Typography>
+ </AccordionDetails>
+ </Accordion>
+
+ {/* Beamline Details Accordion */}
+ <Accordion>
+ <AccordionSummary expandIcon={<ExpandMoreIcon/>}>
+ <Typography><strong>Beamline Details</strong></Typography>
+ </AccordionSummary>
+ <AccordionDetails>
+ <Typography>Synchrotron: {beamline_parameters?.synchrotron || 'N/A'}</Typography>
+ <Typography>Ring mode: {beamline_parameters?.ringMode || 'N/A'}</Typography>
+ <Typography>Ring current: {beamline_parameters?.ringCurrent_A || 'N/A'}</Typography>
+ <Typography>Beamline: {beamline_parameters?.beamline || 'N/A'}</Typography>
+ <Typography>Undulator: {beamline_parameters?.undulator || 'N/A'}</Typography>
+ <Typography>Undulator gap: {beamline_parameters?.undulatorgap_mm || 'N/A'}</Typography>
+ <Typography>Focusing optic: {beamline_parameters?.focusingOptic || 'N/A'}</Typography>
+ <Typography>Monochromator: {beamline_parameters?.monochromator || 'N/A'}</Typography>
+ </AccordionDetails>
+ </Accordion>
- {/* Beam Characteristics Accordion */}
- <Accordion>
- <AccordionSummary
- expandIcon={<ExpandMoreIcon />}
- aria-controls="beam-content"
- id="beam-header"
- >
- <Typography>
- <strong>Beam Characteristics</strong>
+ {/* Beam Characteristics Accordion */}
+ <Accordion>
+ <AccordionSummary expandIcon={<ExpandMoreIcon/>}>
+ <Typography><strong>Beam Characteristics</strong></Typography>
+ </AccordionSummary>
+ <AccordionDetails>
+ <Typography>Wavelength: {beamline_parameters?.wavelength || 'N/A'}</Typography>
+ <Typography>Energy: {beamline_parameters?.energy || 'N/A'}</Typography>
+ <Typography>Transmission: {beamline_parameters?.transmission || 'N/A'}</Typography>
+ <Typography>
+ Beam focus (µm): vertical: {beamline_parameters?.beamSizeHeight || 'N/A'},
+ horizontal:{' '}
+ {beamline_parameters?.beamSizeWidth || 'N/A'}
+ </Typography>
+ <Typography>Flux at sample
+ (ph/s): {beamline_parameters?.beamlineFluxAtSample_ph_s || 'N/A'}</Typography>
+ </AccordionDetails>
+ </Accordion>
+ </div>
+
+ {/* Image Section */}
+ <div style={{width: '900px'}}>
+ <Typography variant="h6" gutterBottom>
+ Associated Images
+ </Typography>
+ {images && images.length > 0 ? (
+ <Grid container spacing={1}>
+ {images.map((img) => (
+ <Grid item xs={4} key={img.id}>
+ <div
+ className="image-container"
+ onClick={() => handleImageClick(`${basePath || ''}${img.filepath}`)}
+ style={{cursor: 'pointer'}}
+ >
+ <img
+ src={`${basePath || ''}${img.filepath}`}
+ alt={img.comment || 'Image'}
+ className="zoom-image"
+ style={{
+ width: '100%',
+ maxWidth: '100%',
+ borderRadius: '4px',
+ }}
+ />
+ </div>
+ </Grid>
+ ))}
+ </Grid>
+ ) : (
+ <Typography variant="body2" color="textSecondary">
+ No images available.
</Typography>
+ )}
+ </div>
+ </div>
+
+ {/* Processing Results Accordion - Full Width Below */}
+ <div style={{width: '100%'}}>
+ <Accordion expanded={expandedResults} onChange={(e, expanded) => setExpandedResults(expanded)}>
+ <AccordionSummary expandIcon={<ExpandMoreIcon/>}>
+ <Typography><strong>Processing Results</strong></Typography>
</AccordionSummary>
- <AccordionDetails>
- <Typography>Wavelength: {beamline_parameters?.wavelength || 'N/A'}</Typography>
- <Typography>Energy: {beamline_parameters?.energy || 'N/A'}</Typography>
- <Typography>Transmission: {beamline_parameters?.transmission || 'N/A'}</Typography>
- <Typography>
- Beam focus (µm): vertical: {beamline_parameters?.beamSizeHeight || 'N/A'}, horizontal:{' '}
- {beamline_parameters?.beamSizeWidth || 'N/A'}
- </Typography>
- <Typography>Flux at sample (ph/s): {beamline_parameters?.beamlineFluxAtSample_ph_s || 'N/A'}</Typography>
+ <AccordionDetails style={{width: '100%', overflowX: 'auto'}}>
+ {processingResult ? (
+ <div style={{width: '100%'}}>
+ <DataGridPremium
+ rows={processingResult.map((res, idx) => ({id: idx, ...res}))}
+ columns={resultColumns}
+ autoHeight
+ hideFooter
+ columnVisibilityModel={{id: false}}
+ disableColumnResize={false}
+ />
+ </div>
+ ) : (
+ <Typography variant="body2" color="textSecondary">Loading results...</Typography>
+ )}
</AccordionDetails>
</Accordion>
</div>
- {/* Image Section */}
- <div style={{ width: '900px' }}>
- <Typography variant="h6" gutterBottom>
- Associated Images
- </Typography>
- {images && images.length > 0 ? (
- <Grid container spacing={1}>
- {images.map((img) => (
- <Grid item xs={4} key={img.id}>
- <div
- className="image-container"
- onClick={() => handleImageClick(`${basePath || ''}${img.filepath}`)} // Open modal with image
- style={{
- cursor: 'pointer',
- }}
- >
- <img
- src={`${basePath || ''}${img.filepath}`} // Ensure basePath
- alt={img.comment || 'Image'}
- className="zoom-image"
- style={{
- width: '100%', // Ensure the image takes the full width of its container
- maxWidth: '100%', // Prevent any overflow
- borderRadius: '4px',
- }}
- />
- </div>
- </Grid>
- ))}
- </Grid>
- ) : (
- <Typography variant="body2" color="textSecondary">
- No images available.
- </Typography>
- )}
- </div>
-
{/* Modal for Zoomed Image */}
<Modal open={modalOpen} onClose={closeModal}>
<Box
@@ -224,5 +307,4 @@ const RunDetails: React.FC<RunDetailsProps> = ({ run, onHeightChange, basePath }
</div>
);
};
-
export default RunDetails;
\ No newline at end of file
diff --git a/testfunctions.ipynb b/testfunctions.ipynb
index 093c6a53baf1abf7226629db195fe4574e48a358..44eacb0b4012ee2a10b2404f46c1cdc8f60e9d57 100644
--- a/testfunctions.ipynb
+++ b/testfunctions.ipynb
@@ -3,8 +3,8 @@
{
"metadata": {
"ExecuteTime": {
- "end_time": "2025-03-17T10:32:07.119518Z",
- "start_time": "2025-03-17T10:32:06.622836Z"
+ "end_time": "2025-03-17T15:41:26.497650Z",
+ "start_time": "2025-03-17T15:41:25.771778Z"
}
},
"cell_type": "code",
@@ -385,8 +385,8 @@
{
"metadata": {
"ExecuteTime": {
- "end_time": "2025-03-17T10:32:10.718097Z",
- "start_time": "2025-03-17T10:32:10.716192Z"
+ "end_time": "2025-03-17T15:41:47.722623Z",
+ "start_time": "2025-03-17T15:41:47.720727Z"
}
},
"cell_type": "code",
@@ -736,8 +736,8 @@
{
"metadata": {
"ExecuteTime": {
- "end_time": "2025-03-17T10:46:08.211213Z",
- "start_time": "2025-03-17T10:46:08.193139Z"
+ "end_time": "2025-03-17T15:42:07.300875Z",
+ "start_time": "2025-03-17T15:42:07.279495Z"
}
},
"cell_type": "code",
@@ -750,12 +750,12 @@
"from aareDBclient.rest import ApiException\n",
"\n",
"# Your actual sample and experiment IDs\n",
- "sample_id = 123 # Replace with valid IDs\n",
+ "sample_id = sample_id # Replace with valid IDs\n",
"run_id = 1 # Replace with valid run_id\n",
"\n",
"# Create random Results payload\n",
"results_data = Results(\n",
- " pipeline=\"autoproc\",\n",
+ " pipeline=\"fastproc\",\n",
" resolution=round(random.uniform(1.0, 4.0), 2),\n",
" unit_cell=f\"{random.uniform(20, 120):.2f}, {random.uniform(20, 120):.2f}, \"\n",
" f\"{random.uniform(20, 120):.2f}, {random.uniform(60, 120):.2f}, \"\n",
@@ -804,9 +804,9 @@
"output_type": "stream",
"text": [
"DEBUG:urllib3.connectionpool:Starting new HTTPS connection (1): 127.0.0.1:8000\n",
- "/Library/Frameworks/Python.framework/Versions/3.12/lib/python3.12/site-packages/urllib3/connectionpool.py:1097: InsecureRequestWarning: Unverified HTTPS request is being made to host '127.0.0.1'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings\n",
+ "/Users/gotthardg/PycharmProjects/aaredb/.venv/lib/python3.12/site-packages/urllib3/connectionpool.py:1097: InsecureRequestWarning: Unverified HTTPS request is being made to host '127.0.0.1'. Adding certificate verification is strongly advised. See: https://urllib3.readthedocs.io/en/latest/advanced-usage.html#tls-warnings\n",
" warnings.warn(\n",
- "DEBUG:urllib3.connectionpool:https://127.0.0.1:8000 \"POST /samples/processing-results HTTP/1.1\" 200 369\n"
+ "DEBUG:urllib3.connectionpool:https://127.0.0.1:8000 \"POST /samples/processing-results HTTP/1.1\" 200 367\n"
]
},
{
@@ -814,11 +814,11 @@
"output_type": "stream",
"text": [
"API call successful:\n",
- "ResultResponse(id=2, sample_id=123, run_id=1, result=Results(pipeline='autoproc', resolution=1.94, unit_cell='23.86, 89.07, 37.39, 63.99, 88.77, 81.42', spacegroup='P41212', rmerge=0.072, rmeas=0.07, isig=29.58, cc=0.758, cchalf=0.915, completeness=93.12, multiplicity=6.1, nobs=279922, total_refl=83994, unique_refl=47041, comments='Random auto-generated test entry'))\n"
+ "ResultResponse(id=4, sample_id=247, run_id=1, result=Results(pipeline='fastproc', resolution=3.93, unit_cell='56.27, 40.58, 26.64, 93.74, 90.52, 99.53', spacegroup='C2', rmerge=0.097, rmeas=0.13, isig=21.29, cc=0.989, cchalf=0.802, completeness=98.46, multiplicity=6.35, nobs=273232, total_refl=217336, unique_refl=11189, comments='Random auto-generated test entry'))\n"
]
}
],
- "execution_count": 9
+ "execution_count": 3
},
{
"metadata": {