Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "026e49fd4a08f1edd5baebd709592ede",
"space_group_name": "I 2 3",
"unit_cell": {
"a": 147.373,
"b": 147.373,
"c": 147.373,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.210,2.720],
"number_observations": 252693,
"number_observations_unique": 14511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 17.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.720],
"number_observations": 14916,
"number_observations_unique": 1895,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.834
}
]
},
{
"resolution_limits": [104.210,9.010],
"number_observations": 8000,
"number_observations_unique": 438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 72.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}