Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b917b2c71f749ec0f174650f58fd382",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 124.269,
"b": 102.472,
"c": 84.273,
"alpha": 90.000,
"beta": 98.529,
"gamma": 90.000
},
"wavelengths": [1.74035],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.65,2.45],
"number_observations_unique": 36944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 11.7
},
{
"type": "Completeness",
"value": 95.98
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.538,2.45],
"number_observations_unique": 3602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.353
},
{
"type": "R(meas)",
"value": 1.462
},
{
"type": "R(pim)",
"value": 0.790
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 94.17
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.717
}
]
}
]
}