Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f661c6a56d059d3c5b7dd07faba5b7b8",
"space_group_name": "I 41",
"unit_cell": {
"a": 139.82,
"b": 139.82,
"c": 80.80,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.980,2.600],
"number_observations": 172942,
"number_observations_unique": 23989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 18.530
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.209
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.670,2.600],
"number_observations": 12250,
"number_observations_unique": 1726,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.018
},
{
"type": "R(meas)",
"value": 1.098
},
{
"type": "I/SigI",
"value": 1.940
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.097
},
{
"type": "CC(1/2)",
"value": 0.867
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 12832,
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "I/SigI",
"value": 2.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.303
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 11770,
"number_observations_unique": 1614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.292
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.910,2.820],
"number_observations": 11969,
"number_observations_unique": 1638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.477
},
{
"type": "I/SigI",
"value": 4.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.307
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.000,2.910],
"number_observations": 11631,
"number_observations_unique": 1592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.363
},
{
"type": "I/SigI",
"value": 5.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.306
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.110,3.000],
"number_observations": 11098,
"number_observations_unique": 1521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 8.070
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.297
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations": 10825,
"number_observations_unique": 1488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 11.560
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.275
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.360,3.230],
"number_observations": 10325,
"number_observations_unique": 1417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.287
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.510,3.360],
"number_observations": 9793,
"number_observations_unique": 1350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 18.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.254
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.680,3.510],
"number_observations": 9510,
"number_observations_unique": 1317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.221
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.880,3.680],
"number_observations": 8871,
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.259
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.110,3.880],
"number_observations": 8482,
"number_observations_unique": 1181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 29.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.182
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.400,4.110],
"number_observations": 7935,
"number_observations_unique": 1101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 34.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.207
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.750,4.400],
"number_observations": 7612,
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 36.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.188
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.200,4.750],
"number_observations": 6734,
"number_observations_unique": 945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.126
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.820,5.200],
"number_observations": 6042,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 40.680
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.067
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.710,5.820],
"number_observations": 5500,
"number_observations_unique": 776,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 42.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.088
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.220,6.710],
"number_observations": 4583,
"number_observations_unique": 650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 45.460
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.051
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [11.630,8.220],
"number_observations": 3470,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 47.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.912
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [34.980,11.630],
"number_observations": 1710,
"number_observations_unique": 278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 44.830
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.151
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}