Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ca6b82f1cf0f663102a7f10681062c59",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 83.716,
"b": 44.594,
"c": 59.657,
"alpha": 90.00,
"beta": 108.79,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.66,1.60],
"number_observations_unique": 27677,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.60],
"number_observations": 4524,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.444
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
}
]
}