Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b87d079cbf28a504acebf1dfb428d9a6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 110.578,
"b": 178.922,
"c": 87.910,
"alpha": 90.00,
"beta": 106.72,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.14,2.08],
"number_observations": 379313,
"number_observations_unique": 94785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.12,2.08],
"number_observations": 19638,
"number_observations_unique": 4677,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.353
},
{
"type": "R(meas)",
"value": 1.552
},
{
"type": "R(pim)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
}
]
}