Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "38b8d5e7d7638bd12dbf5fd8b6991ea2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.091,
"b": 92.729,
"c": 96.298,
"alpha": 90.00,
"beta": 105.57,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.77,1.910],
"number_observations_unique": 47870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0777
},
{
"type": "R(meas)",
"value": 0.0838
},
{
"type": "R(pim)",
"value": 0.0313
},
{
"type": "I/SigI",
"value": 12.90
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.108,1.910],
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.016
},
{
"type": "R(meas)",
"value": 1.110
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.7
},
{
"type": "Completeness",
"value": 69.3
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.674
}
]
}
]
}