Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98beeb7fadce9ba4c1625fefb7c57274",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 75.01,
"b": 83.70,
"c": 137.58,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.900],
"number_observations_unique": 34390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 19.940
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.921
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 2485,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "R(meas)",
"value": 0.649
},
{
"type": "I/SigI",
"value": 2.340
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.385
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.482
},
{
"type": "I/SigI",
"value": 3.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.460
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 2388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 5.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.144
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 6.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.193
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 2238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 8.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.163
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 2208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 10.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.171
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.176
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 14.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.165
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 1951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 17.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.172
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 1877,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 20.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.141
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 1760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 24.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.135
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 1707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 28.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.058
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.940
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.063
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 40.020
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.004
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 42.350
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.933
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 1246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 46.160
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.949
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.921
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 937,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 47.520
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.936
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 48.620
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.870
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.0,8.500],
"number_observations_unique": 418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 49.740
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 5.354
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}