Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87bae14d91f99532b23da731fe40842d",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 45.041,
"b": 53.835,
"c": 115.110,
"alpha": 90.00,
"beta": 101.13,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.600,2.590],
"number_observations": 56634,
"number_observations_unique": 8552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.710,2.590],
"number_observations": 6716,
"number_observations_unique": 1047,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.200
},
{
"type": "R(meas)",
"value": 2.396
},
{
"type": "R(pim)",
"value": 0.938
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [48.600,8.970],
"number_observations": 1316,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}