Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab55978e8fa39cf4a74619126d54fe6e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.061,
"b": 81.652,
"c": 85.907,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.95,1.82],
"number_observations_unique": 27261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1714
},
{
"type": "R(pim)",
"value": 0.04844
},
{
"type": "I/SigI",
"value": 7.33
},
{
"type": "Completeness",
"value": 99.71
},
{
"type": "Redundancy",
"value": 13.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.88,1.82],
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.757
},
{
"type": "R(pim)",
"value": 0.7651
},
{
"type": "I/SigI",
"value": 0.50
},
{
"type": "Completeness",
"value": 97.46
},
{
"type": "Redundancy",
"value": 13.8
},
{
"type": "CC(1/2)",
"value": 0.382
}
]
}
]
}