Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "39d4166fad0a9c5218519ae7ca30401d",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.441,
"b": 65.083,
"c": 84.385,
"alpha": 90.00,
"beta": 93.53,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.210,1.690],
"number_observations": 252863,
"number_observations_unique": 81831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.690],
"number_observations": 13112,
"number_observations_unique": 5654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.730
},
{
"type": "R(meas)",
"value": 0.933
},
{
"type": "R(pim)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.508
}
]
},
{
"resolution_limits": [84.210,7.560],
"number_observations": 3170,
"number_observations_unique": 992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}