Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "73d5b880282fac29538ac31c5f6a4e5b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.49,
"b": 77.29,
"c": 99.44,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.820,1.740],
"number_observations": 201644,
"number_observations_unique": 31245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 13304,
"number_observations_unique": 2247,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.759
},
{
"type": "R(meas)",
"value": 1.930
},
{
"type": "R(pim)",
"value": 0.785
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [41.820,7.780],
"number_observations": 2369,
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}