Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "f7e9903c86034f8ab774a55b174a2b4b",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 44.947,
"b": 46.160,
"c": 110.039,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.02,1.55],
"number_observations": 455097,
"number_observations_unique": 33668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.5
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.58,1.55],
"number_observations": 23348,
"number_observations_unique": 1640,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(meas)",
"value": 1.390
},
{
"type": "R(pim)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
}
]
}