Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fef8e6f79e3327473c3333d9de19a01",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 85.42,
"b": 85.42,
"c": 187.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.980,1.900],
"number_observations_unique": 27708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.390
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.693
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 1988,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 4.290
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 8.884
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "I/SigI",
"value": 6.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.994
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations_unique": 1926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 8.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.202
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations_unique": 1856,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 11.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.204
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "I/SigI",
"value": 12.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.209
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations_unique": 1734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 15.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.206
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 1679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 17.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.987
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 21.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.156
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations_unique": 1540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 24.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.036
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations_unique": 1511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 27.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.129
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 32.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.103
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 36.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.113
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations_unique": 1283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 42.460
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.996
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 47.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.781
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations_unique": 1104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 53.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.828
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations_unique": 1018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 56.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.736
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations_unique": 899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 59.510
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.673
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations_unique": 773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 57.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.608
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 57.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.216
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [36.980,8.500],
"number_observations_unique": 370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 57.090
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 9.770
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}