Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "05d453e600c00c9dbbd3428484faff46",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 131.10,
"b": 131.26,
"c": 58.54,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.379,1.600],
"number_observations": 868617,
"number_observations_unique": 66812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 18.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.001
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 63756,
"number_observations_unique": 4841,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.618
},
{
"type": "R(meas)",
"value": 1.682
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 13.170
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [1.690,1.640],
"number_observations": 60027,
"number_observations_unique": 4792,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.427
},
{
"type": "R(meas)",
"value": 1.488
},
{
"type": "I/SigI",
"value": 1.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.527
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [1.740,1.690],
"number_observations": 57774,
"number_observations_unique": 4602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.103
},
{
"type": "R(meas)",
"value": 1.149
},
{
"type": "I/SigI",
"value": 2.490
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.554
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [1.790,1.740],
"number_observations": 61772,
"number_observations_unique": 4509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.832
},
{
"type": "R(meas)",
"value": 0.864
},
{
"type": "I/SigI",
"value": 3.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations": 58892,
"number_observations_unique": 4370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "I/SigI",
"value": 5.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.476
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.910,1.850],
"number_observations": 56913,
"number_observations_unique": 4227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.429
},
{
"type": "R(meas)",
"value": 0.445
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.464
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [1.980,1.910],
"number_observations": 54962,
"number_observations_unique": 4106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.322
},
{
"type": "I/SigI",
"value": 9.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.386
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.070,1.980],
"number_observations": 52053,
"number_observations_unique": 3935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 12.750
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.228
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.160,2.070],
"number_observations": 47117,
"number_observations_unique": 3812,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.360
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.260,2.160],
"number_observations": 49137,
"number_observations_unique": 3623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 19.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.563
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.390,2.260],
"number_observations": 48126,
"number_observations_unique": 3441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 23.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.986
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.530,2.390],
"number_observations": 44724,
"number_observations_unique": 3268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 27.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.685
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.700,2.530],
"number_observations": 41181,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 31.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.410
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.920,2.700],
"number_observations": 36126,
"number_observations_unique": 2896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 35.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.474
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.200,2.920],
"number_observations": 30457,
"number_observations_unique": 2658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.459
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.580,3.200],
"number_observations": 31121,
"number_observations_unique": 2405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 49.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.940
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.130,3.580],
"number_observations": 26853,
"number_observations_unique": 2145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 54.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.519
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.060,4.130],
"number_observations": 21685,
"number_observations_unique": 1821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 55.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.908
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.160,5.060],
"number_observations": 15844,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 51.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 10.919
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.379,7.160],
"number_observations": 10097,
"number_observations_unique": 839,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 57.820
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.035
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}