Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6eabf7a7412001c698ec44de8a38d41a",
"space_group_name": "H 3",
"unit_cell": {
"a": 321.119,
"b": 321.119,
"c": 104.966,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98674],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.780,2.540],
"number_observations": 1143007,
"number_observations_unique": 133090,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.540],
"number_observations": 227759,
"number_observations_unique": 27461,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.341
},
{
"type": "R(meas)",
"value": 1.431
},
{
"type": "R(pim)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.300
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [83.780,6.720],
"number_observations": 62742,
"number_observations_unique": 7181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}