Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ce471858206a8b612a2c6126227a045",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.16,
"b": 78.43,
"c": 138.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.27000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.694,1.780],
"number_observations_unique": 84146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 13.040
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.781
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 6114,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.126
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "I/SigI",
"value": 1.090
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.295
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [1.880,1.830],
"number_observations_unique": 5990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.859
},
{
"type": "R(meas)",
"value": 0.998
},
{
"type": "I/SigI",
"value": 1.610
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.864
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [1.930,1.880],
"number_observations_unique": 5949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.676
},
{
"type": "R(meas)",
"value": 0.786
},
{
"type": "I/SigI",
"value": 2.050
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.836
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [1.990,1.930],
"number_observations_unique": 5711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.480
},
{
"type": "R(meas)",
"value": 0.560
},
{
"type": "I/SigI",
"value": 2.750
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.760
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.060,1.990],
"number_observations_unique": 5540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.520
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [2.130,2.060],
"number_observations_unique": 5410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.321
},
{
"type": "I/SigI",
"value": 4.810
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.929
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.210,2.130],
"number_observations_unique": 5195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.860
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.921
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.300,2.210],
"number_observations_unique": 5008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 7.340
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.825
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations_unique": 4777,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 9.240
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.704
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.520,2.400],
"number_observations_unique": 4588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 10.720
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.695
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.650,2.520],
"number_observations_unique": 4364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 12.520
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.974
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.810,2.650],
"number_observations_unique": 4155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 15.550
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.918
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.010,2.810],
"number_observations_unique": 3875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.990
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.779
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.250,3.010],
"number_observations_unique": 3575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 25.330
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.711
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.560,3.250],
"number_observations_unique": 3348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 33.370
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.035
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.980,3.560],
"number_observations_unique": 2979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 38.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.903
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.600,3.980],
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 41.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.571
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.630,4.600],
"number_observations_unique": 2247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 42.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.068
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.960,5.630],
"number_observations_unique": 1719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 43.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.872
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [39.694,7.960],
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 53.310
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.902
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}