Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4ea2a7701f24473b0382c62f14c8dbe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.38,
"b": 77.77,
"c": 47.68,
"alpha": 90.00,
"beta": 90.66,
"gamma": 90.00
},
"wavelengths": [1.85001,0.97200,0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.65,1.53],
"number_observations_unique": 35709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04087
},
{
"type": "R(meas)",
"value": 0.04446
},
{
"type": "R(pim)",
"value": 0.0173
},
{
"type": "I/SigI",
"value": 20.91
},
{
"type": "Completeness",
"value": 99.42
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.53],
"number_observations_unique": 3473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6848
},
{
"type": "R(meas)",
"value": 0.7487
},
{
"type": "R(pim)",
"value": 0.2973
},
{
"type": "I/SigI",
"value": 1.98
},
{
"type": "Completeness",
"value": 96.93
},
{
"type": "CC(1/2)",
"value": 0.85
}
]
}
]
}