Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d2b553e346417b62b226328fa30a1142",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.681,
"b": 33.817,
"c": 61.697,
"alpha": 90.0,
"beta": 98.3,
"gamma": 90.0
},
"wavelengths": [1.54000,2.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.05,1.9],
"number_observations_unique": 11968,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 96.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.9],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 94.5
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.43,2.35],
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 86.4
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}