Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e3c8249d74af783f9f0350ca16de9e7",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 92.011,
"b": 92.011,
"c": 116.879,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.93100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,2.650],
"number_observations": 241457,
"number_observations_unique": 15203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.650],
"number_observations_unique": 1973,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.563
},
{
"type": "R(meas)",
"value": 3.678
},
{
"type": "R(pim)",
"value": 0.905
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 0.469
}
]
},
{
"resolution_limits": [49.330,8.790],
"number_observations_unique": 498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 42.2
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}