Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6618a1f9c443da65438c13cd912a63ad",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 102.615,
"b": 102.615,
"c": 199.850,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.130,2.650],
"number_observations": 684889,
"number_observations_unique": 30855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 24.340
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 22.197
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.650],
"number_observations": 55755,
"number_observations_unique": 3054,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 1.675
},
{
"type": "I/SigI",
"value": 2.130
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 18.256
},
{
"type": "CC(1/2)",
"value": 0.757
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 54470,
"number_observations_unique": 2674,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.200
},
{
"type": "R(meas)",
"value": 1.229
},
{
"type": "I/SigI",
"value": 3.130
},
{
"type": "Completeness",
"value": 93.400
},
{
"type": "Redundancy",
"value": 20.370
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
},
{
"resolution_limits": [3.000,2.850],
"number_observations": 75350,
"number_observations_unique": 3393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.867
},
{
"type": "R(meas)",
"value": 0.886
},
{
"type": "I/SigI",
"value": 4.690
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 22.207
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [3.500,3.000],
"number_observations": 175095,
"number_observations_unique": 7676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 11.740
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 22.811
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 97588,
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 26.550
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 21.672
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.000,4.000],
"number_observations": 159998,
"number_observations_unique": 6595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 49.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 24.260
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 37002,
"number_observations_unique": 1672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 54.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.130
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 14445,
"number_observations_unique": 606,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 74.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.837
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [34.130,10.000],
"number_observations": 15186,
"number_observations_unique": 682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 73.390
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 22.267
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}