Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "102efc2ba4f69d196768c7697f404670",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.11,
"b": 135.11,
"c": 234.43,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.38,2.100],
"number_observations": 267111,
"number_observations_unique": 92682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 9.270
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.882
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.150,2.100],
"number_observations": 19405,
"number_observations_unique": 6881,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.167
},
{
"type": "R(meas)",
"value": 1.455
},
{
"type": "I/SigI",
"value": 0.990
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.820
},
{
"type": "CC(1/2)",
"value": 0.276
}
]
},
{
"resolution_limits": [2.210,2.150],
"number_observations": 19027,
"number_observations_unique": 6696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.849
},
{
"type": "R(meas)",
"value": 1.058
},
{
"type": "I/SigI",
"value": 1.370
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.842
},
{
"type": "CC(1/2)",
"value": 0.430
}
]
},
{
"resolution_limits": [2.280,2.210],
"number_observations": 18403,
"number_observations_unique": 6444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.963
},
{
"type": "I/SigI",
"value": 1.560
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.856
},
{
"type": "CC(1/2)",
"value": 0.493
}
]
},
{
"resolution_limits": [2.350,2.280],
"number_observations": 18408,
"number_observations_unique": 6391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.575
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.880
},
{
"type": "CC(1/2)",
"value": 0.626
}
]
},
{
"resolution_limits": [2.430,2.350],
"number_observations": 17437,
"number_observations_unique": 6061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "R(meas)",
"value": 0.588
},
{
"type": "I/SigI",
"value": 2.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.877
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [2.510,2.430],
"number_observations": 17167,
"number_observations_unique": 5949,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.886
},
{
"type": "CC(1/2)",
"value": 0.763
}
]
},
{
"resolution_limits": [2.600,2.510],
"number_observations": 16503,
"number_observations_unique": 5725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 3.790
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.883
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
},
{
"resolution_limits": [2.710,2.600],
"number_observations": 15760,
"number_observations_unique": 5461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 2.886
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.830,2.710],
"number_observations": 15489,
"number_observations_unique": 5338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.902
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [2.970,2.830],
"number_observations": 14551,
"number_observations_unique": 5018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 6.960
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.130,2.970],
"number_observations": 13872,
"number_observations_unique": 4786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 8.680
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.898
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.320,3.130],
"number_observations": 13242,
"number_observations_unique": 4554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.908
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.550,3.320],
"number_observations": 12369,
"number_observations_unique": 4261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 16.260
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.903
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.830,3.550],
"number_observations": 11357,
"number_observations_unique": 3911,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 19.740
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.904
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.200,3.830],
"number_observations": 10560,
"number_observations_unique": 3655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 24.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 2.889
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.700,4.200],
"number_observations": 9576,
"number_observations_unique": 3312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 27.650
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 2.891
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.420,4.700],
"number_observations": 8404,
"number_observations_unique": 2891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 28.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.907
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.640,5.420],
"number_observations": 7155,
"number_observations_unique": 2445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 26.920
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.926
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.390,6.640],
"number_observations": 5568,
"number_observations_unique": 1903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 34.640
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 2.926
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [41.380,9.390],
"number_observations": 2858,
"number_observations_unique": 1000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 40.340
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.858
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}