Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89ad8447fba68140c72fa7634d9a6434",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.630,
"b": 60.759,
"c": 32.228,
"alpha": 90.00,
"beta": 92.64,
"gamma": 90.00
},
"wavelengths": [0.94056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.59,1.45],
"number_observations": 172819,
"number_observations_unique": 24689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.48,1.45],
"number_observations": 8798,
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.676
},
{
"type": "R(meas)",
"value": 6.118
},
{
"type": "R(pim)",
"value": 2.264
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.387
}
]
}
]
}