Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8d2b532f63a990bda8554d6a01cb064b",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 63.492,
"b": 75.176,
"c": 166.650,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.510,2.740],
"number_observations": 142573,
"number_observations_unique": 10860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.740],
"number_observations": 19028,
"number_observations_unique": 1428,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.666
},
{
"type": "R(meas)",
"value": 2.769
},
{
"type": "R(pim)",
"value": 0.745
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.490
}
]
},
{
"resolution_limits": [48.510,9.090],
"number_observations": 3923,
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 41.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}