Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4d85d81a6e9e7ce8f2db3b21e1267bd",
"space_group_name": "P 1",
"unit_cell": {
"a": 48.26,
"b": 49.80,
"c": 73.37,
"alpha": 87.65,
"beta": 107.11,
"gamma": 113.86
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.624,2.300],
"number_observations": 101357,
"number_observations_unique": 25961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 11.870
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.904
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations": 7486,
"number_observations_unique": 1885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 2.930
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.971
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations": 7425,
"number_observations_unique": 1870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 3.760
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.971
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations": 7137,
"number_observations_unique": 1797,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.339
},
{
"type": "R(meas)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.972
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations": 7007,
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 5.410
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.979
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.660,2.570],
"number_observations": 6769,
"number_observations_unique": 1707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.965
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 6607,
"number_observations_unique": 1667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.963
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations": 6354,
"number_observations_unique": 1608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 8.360
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.951
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations": 6055,
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 9.940
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.958
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations": 5786,
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.925
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations": 5533,
"number_observations_unique": 1419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 14.150
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.899
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.430,3.250],
"number_observations": 5194,
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 16.010
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.879
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.640,3.430],
"number_observations": 4951,
"number_observations_unique": 1290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 17.090
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.838
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.890,3.640],
"number_observations": 4487,
"number_observations_unique": 1195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.755
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.200,3.890],
"number_observations": 4236,
"number_observations_unique": 1107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 21.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.827
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.600,4.200],
"number_observations": 3988,
"number_observations_unique": 1039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.838
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations": 3520,
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 23.170
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.797
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.940,5.140],
"number_observations": 3158,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.230
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.809
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [7.270,5.940],
"number_observations": 2606,
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 22.770
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.750
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [10.290,7.270],
"number_observations": 2011,
"number_observations_unique": 534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 24.970
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.766
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [29.624,10.290],
"number_observations": 1047,
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 25.290
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 3.635
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}