Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51039971ae0c800beb38187b265341ae",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.31,
"b": 99.45,
"c": 131.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.515,1.900],
"number_observations_unique": 74874,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 19.230
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.283
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 5400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.516
},
{
"type": "R(meas)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 3.680
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.382
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 5304,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.399
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 5185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 6.010
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.395
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 5009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.320
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.381
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 4876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 8.990
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.362
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 4743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 10.450
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.344
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 4578,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "I/SigI",
"value": 12.820
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.348
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 14.550
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.333
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 4241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 17.320
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.329
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 4091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 19.540
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.314
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 3868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 23.110
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.291
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 3696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 27.410
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.268
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.570
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.210
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 3237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.205
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.480
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.157
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 2729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.010
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.111
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 2446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 44.020
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.063
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 2067,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 42.540
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.006
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 1637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 43.240
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.913
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [46.515,8.500],
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.570
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 5.568
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}