Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "296ddf6ee87a4cdf3966ec8fd23e3c5f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.067,
"b": 77.941,
"c": 100.823,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,1.88000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.699,1.88],
"number_observations_unique": 43956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1427
},
{
"type": "R(meas)",
"value": 0.1546
},
{
"type": "R(pim)",
"value": 0.0587
},
{
"type": "I/SigI",
"value": 9.52
},
{
"type": "Completeness",
"value": 98.870
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.88],
"number_observations_unique": 4281,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.063
},
{
"type": "R(meas)",
"value": 1.152
},
{
"type": "R(pim)",
"value": 0.439
},
{
"type": "I/SigI",
"value": 1.46
},
{
"type": "Completeness",
"value": 97.92
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.409
}
]
},
{
"resolution_limits": [3.19,3.19],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2156
},
{
"type": "R(meas)",
"value": 0.2238
},
{
"type": "R(pim)",
"value": 0.0596
},
{
"type": "I/SigI",
"value": 10.93
},
{
"type": "Completeness",
"value": 99.68
},
{
"type": "Redundancy",
"value": 13.60
},
{
"type": "CC(1/2)",
"value": 0.9990
}
]
}
]
}