Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd6c468301c8b37d045aac30162ebb33",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.085,
"b": 182.602,
"c": 196.808,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.00,2.70],
"number_observations_unique": 84382,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 13.6
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
"refln_shells": [
{
"resolution_limits": [2.75,2.70],
"number_observations_unique": 4118,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.787
},
{
"type": "R(meas)",
"value": 1.906
},
{
"type": "R(pim)",
"value": 0.645
},
{
"type": "Completeness",
"value": 97.3
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [2.80,2.75],
"number_observations_unique": 4127,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.703
},
{
"type": "R(meas)",
"value": 1.803
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 8.4
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [2.85,2.80],
"number_observations_unique": 4143,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.595
},
{
"type": "R(meas)",
"value": 1.677
},
{
"type": "R(pim)",
"value": 0.509
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 9.9
},
{
"type": "CC(1/2)",
"value": 0.730
}
]
},
{
"resolution_limits": [2.91,2.85],
"number_observations_unique": 4189,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.566
},
{
"type": "R(meas)",
"value": 1.637
},
{
"type": "R(pim)",
"value": 0.472
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
},
{
"resolution_limits": [2.97,2.91],
"number_observations_unique": 4140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.426
},
{
"type": "R(meas)",
"value": 1.485
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 12.7
},
{
"type": "CC(1/2)",
"value": 0.815
}
]
},
{
"resolution_limits": [3.04,2.97],
"number_observations_unique": 4154,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.310
},
{
"type": "R(meas)",
"value": 1.360
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 13.7
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [3.12,3.04],
"number_observations_unique": 4187,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.070
},
{
"type": "R(meas)",
"value": 1.109
},
{
"type": "R(pim)",
"value": 0.289
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 14.5
},
{
"type": "CC(1/2)",
"value": 0.888
}
]
},
{
"resolution_limits": [3.20,3.12],
"number_observations_unique": 4178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.225
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 14.8
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [3.29,3.20],
"number_observations_unique": 4158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.642
},
{
"type": "R(meas)",
"value": 0.664
},
{
"type": "R(pim)",
"value": 0.171
},
{
"type": "Completeness",
"value": 98.8
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.40,3.29],
"number_observations_unique": 4229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.142
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.52,3.40],
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.66,3.52],
"number_observations_unique": 4185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.355
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.83,3.66],
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.271
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.03,3.83],
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.28,4.03],
"number_observations_unique": 4226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 15.1
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.60,4.28],
"number_observations_unique": 4231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.06,4.60],
"number_observations_unique": 4282,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 15.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.77,5.06],
"number_observations_unique": 4317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 14.9
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.22,5.77],
"number_observations_unique": 4348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 14.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [20.00,7.22],
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 13.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}