Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4be71ad0f52328bb1194ba5ee26eb642",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.62,
"b": 169.92,
"c": 84.14,
"alpha": 90.00,
"beta": 98.36,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.830,2.650],
"number_observations": 220642,
"number_observations_unique": 35700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 15.470
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.180
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.650],
"number_observations": 13521,
"number_observations_unique": 2552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 3.050
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.298
},
{
"type": "CC(1/2)",
"value": 0.814
}
]
},
{
"resolution_limits": [2.790,2.720],
"number_observations": 15460,
"number_observations_unique": 2618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 3.840
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.905
},
{
"type": "CC(1/2)",
"value": 0.882
}
]
},
{
"resolution_limits": [2.870,2.790],
"number_observations": 15659,
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.431
},
{
"type": "I/SigI",
"value": 4.440
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.426
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [2.960,2.870],
"number_observations": 15656,
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 5.540
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.362
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [3.060,2.960],
"number_observations": 14739,
"number_observations_unique": 2310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 6.450
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.381
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.170,3.060],
"number_observations": 14583,
"number_observations_unique": 2291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 7.660
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.365
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.290,3.170],
"number_observations": 13869,
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.388
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.420,3.290],
"number_observations": 13676,
"number_observations_unique": 2156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.343
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.570,3.420],
"number_observations": 12784,
"number_observations_unique": 2008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 14.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.367
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.750,3.570],
"number_observations": 12331,
"number_observations_unique": 1964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 19.280
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.279
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.950,3.750],
"number_observations": 11460,
"number_observations_unique": 1824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.090
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.283
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.190,3.950],
"number_observations": 10974,
"number_observations_unique": 1785,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 24.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.148
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.480,4.190],
"number_observations": 10063,
"number_observations_unique": 1665,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 28.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.044
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.840,4.480],
"number_observations": 9275,
"number_observations_unique": 1498,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 30.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.192
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.300,4.840],
"number_observations": 8948,
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 26.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.214
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.930,5.300],
"number_observations": 7986,
"number_observations_unique": 1272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 22.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.278
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.840,5.930],
"number_observations": 7064,
"number_observations_unique": 1130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 25.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.251
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.380,6.840],
"number_observations": 5837,
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 33.750
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.049
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.850,8.380],
"number_observations": 4379,
"number_observations_unique": 748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 47.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.854
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.830,11.850],
"number_observations": 2378,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 51.150
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.872
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}