Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "855f58915b18c9d0fc48951a3a6e6c80",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 140.882,
"b": 140.175,
"c": 87.559,
"alpha": 90.0,
"beta": 123.2,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.050,1.740],
"number_observations": 632841,
"number_observations_unique": 145142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.740],
"number_observations": 91098,
"number_observations_unique": 21212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.720
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [74.050,5.500],
"number_observations": 19726,
"number_observations_unique": 4645,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 33.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}