Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d012ee9ddce9024e3ad67ca9c9ed43c",
"space_group_name": "H 3",
"unit_cell": {
"a": 134.909,
"b": 134.909,
"c": 234.940,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.40,2.490],
"number_observations": 288693,
"number_observations_unique": 55794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 10.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.174
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.550,2.490],
"number_observations": 18344,
"number_observations_unique": 4116,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.104
},
{
"type": "R(meas)",
"value": 1.253
},
{
"type": "I/SigI",
"value": 1.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.457
},
{
"type": "CC(1/2)",
"value": 0.439
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations": 21673,
"number_observations_unique": 4040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.931
},
{
"type": "R(meas)",
"value": 1.032
},
{
"type": "I/SigI",
"value": 1.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.365
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [2.700,2.620],
"number_observations": 20837,
"number_observations_unique": 3938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.770
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "I/SigI",
"value": 2.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.291
},
{
"type": "CC(1/2)",
"value": 0.695
}
]
},
{
"resolution_limits": [2.780,2.700],
"number_observations": 19667,
"number_observations_unique": 3769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.680
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.218
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [2.880,2.780],
"number_observations": 18750,
"number_observations_unique": 3686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.549
},
{
"type": "R(meas)",
"value": 0.613
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.087
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.980,2.880],
"number_observations": 18606,
"number_observations_unique": 3581,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.426
},
{
"type": "R(meas)",
"value": 0.474
},
{
"type": "I/SigI",
"value": 3.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.196
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [3.090,2.980],
"number_observations": 18540,
"number_observations_unique": 3408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 4.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.440
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [3.210,3.090],
"number_observations": 17829,
"number_observations_unique": 3306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 6.290
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.393
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.360,3.210],
"number_observations": 16815,
"number_observations_unique": 3192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 7.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.268
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.520,3.360],
"number_observations": 15024,
"number_observations_unique": 3004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.001
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.710,3.520],
"number_observations": 15033,
"number_observations_unique": 2910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 13.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.166
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.940,3.710],
"number_observations": 14619,
"number_observations_unique": 2736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 15.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.343
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.210,3.940],
"number_observations": 13450,
"number_observations_unique": 2542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 19.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.291
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.550,4.210],
"number_observations": 12021,
"number_observations_unique": 2384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 20.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.042
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.980,4.550],
"number_observations": 11383,
"number_observations_unique": 2215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.139
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.570,4.980],
"number_observations": 10645,
"number_observations_unique": 1977,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.384
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.430,5.570],
"number_observations": 9169,
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 22.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.219
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.870,6.430],
"number_observations": 7424,
"number_observations_unique": 1481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 25.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.013
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [11.140,7.870],
"number_observations": 5853,
"number_observations_unique": 1135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 32.570
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.157
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [43.400,11.140],
"number_observations": 3011,
"number_observations_unique": 617,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 33.250
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.880
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}