Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b35704b3d31656614065b100e0744aa",
"space_group_name": "P 1",
"unit_cell": {
"a": 84.92,
"b": 105.95,
"c": 135.71,
"alpha": 91.36,
"beta": 90.37,
"gamma": 89.97
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.950],
"number_observations_unique": 329972,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 11.680
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 24450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 1.950
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.713
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 23700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 2.360
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 23052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 3.210
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations_unique": 22519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 3.960
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations_unique": 21724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 21072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "I/SigI",
"value": 5.440
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 20423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 6.690
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations_unique": 19551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 7.870
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations_unique": 18841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 9.650
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations_unique": 18051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 11.340
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations_unique": 17096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 13.770
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations_unique": 16271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 15.810
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations_unique": 15218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 19.570
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 1.995
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations_unique": 14153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations_unique": 12922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 26.310
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 1.994
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations_unique": 11693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 29.090
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 1.993
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations_unique": 10266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.200
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 1.993
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations_unique": 8737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 29.280
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 1.991
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations_unique": 6691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 30.930
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 1.986
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [50,8.720],
"number_observations_unique": 3542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 34.860
},
{
"type": "Completeness",
"value": 91.800
},
{
"type": "Redundancy",
"value": 1.951
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}