Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "eb443805fc95f824f55c80c6c8dbf25a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.076,
"b": 68.676,
"c": 88.557,
"alpha": 90.000,
"beta": 91.475,
"gamma": 90.000
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.69,2.67],
"number_observations": 123197,
"number_observations_unique": 17269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.319
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.72,2.67],
"number_observations": 6406,
"number_observations_unique": 862,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.579
},
{
"type": "R(meas)",
"value": 2.772
},
{
"type": "R(pim)",
"value": 1.010
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 7.4
},
{
"type": "CC(1/2)",
"value": 0.244
}
]
}
]
}