Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8ab096b2362536f6f50da43c82059bbf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.938,
"b": 67.206,
"c": 79.725,
"alpha": 90.00,
"beta": 100.35,
"gamma": 90.00
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.11,1.95],
"number_observations": 95286,
"number_observations_unique": 38801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 75.7
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.98,1.95],
"number_observations": 4578,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.438
},
{
"type": "R(meas)",
"value": 3.051
},
{
"type": "R(pim)",
"value": 1.805
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Redundancy",
"value": 2.4
},
{
"type": "CC(1/2)",
"value": 0.122
}
]
}
]
}