Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afcdb437daa4c24ce99344b5fec59a54",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 106.86,
"b": 112.43,
"c": 155.22,
"alpha": 90.00,
"beta": 105.58,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.668,2.500],
"number_observations_unique": 61056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 11.260
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.091
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations_unique": 4456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.973
},
{
"type": "R(meas)",
"value": 1.087
},
{
"type": "I/SigI",
"value": 1.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.008
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [2.640,2.560],
"number_observations_unique": 4367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.833
},
{
"type": "R(meas)",
"value": 0.928
},
{
"type": "I/SigI",
"value": 2.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.090
},
{
"type": "CC(1/2)",
"value": 0.792
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations_unique": 4276,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.654
},
{
"type": "R(meas)",
"value": 0.726
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.302
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations_unique": 4141,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "I/SigI",
"value": 3.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.265
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations_unique": 4055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.422
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.221
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations_unique": 3890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.350
},
{
"type": "R(meas)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 5.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.142
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations_unique": 3775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "R(meas)",
"value": 0.303
},
{
"type": "I/SigI",
"value": 6.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.896
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations_unique": 3604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 7.630
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.153
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations_unique": 3468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 9.970
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.041
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations_unique": 3322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "I/SigI",
"value": 12.540
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.124
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations_unique": 3126,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 15.340
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.309
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations_unique": 2993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 18.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.185
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations_unique": 2794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 20.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.060
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations_unique": 2636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 22.330
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.691
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations_unique": 2393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 23.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.020
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations_unique": 2193,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 23.230
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.959
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations_unique": 1950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 23.130
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.148
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations_unique": 1623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 25.920
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.912
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 31.590
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 4.717
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [48.668,11.180],
"number_observations_unique": 707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 33.860
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.984
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}