Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "687995b9379b7137a405915d526d6d77",
"space_group_name": "P 1",
"unit_cell": {
"a": 88.60,
"b": 113.07,
"c": 126.89,
"alpha": 83.18,
"beta": 73.00,
"gamma": 67.37
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.590,4.220],
"number_observations_unique": 18010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 16.120
},
{
"type": "Completeness",
"value": 57.400
},
{
"type": "Redundancy",
"value": 3.533
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [4.320,4.220],
"number_observations_unique": 48,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 3.250
},
{
"type": "Completeness",
"value": 2.100
},
{
"type": "Redundancy",
"value": 3.583
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [4.440,4.320],
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "R(meas)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 4.760
},
{
"type": "Completeness",
"value": 6.100
},
{
"type": "Redundancy",
"value": 3.326
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [4.570,4.440],
"number_observations_unique": 234,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "R(meas)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 3.870
},
{
"type": "Completeness",
"value": 10.700
},
{
"type": "Redundancy",
"value": 2.940
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [4.710,4.570],
"number_observations_unique": 342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "I/SigI",
"value": 3.640
},
{
"type": "Completeness",
"value": 15.600
},
{
"type": "Redundancy",
"value": 2.781
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [4.870,4.710],
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 3.990
},
{
"type": "Completeness",
"value": 22.400
},
{
"type": "Redundancy",
"value": 3.227
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [5.040,4.870],
"number_observations_unique": 597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 30.400
},
{
"type": "Redundancy",
"value": 3.072
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [5.230,5.040],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 3.970
},
{
"type": "Completeness",
"value": 41.800
},
{
"type": "Redundancy",
"value": 3.676
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [5.440,5.230],
"number_observations_unique": 1120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 59.600
},
{
"type": "Redundancy",
"value": 3.787
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [5.680,5.440],
"number_observations_unique": 1570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.610
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 3.714
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [5.960,5.680],
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.634
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.673
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [6.280,5.960],
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "R(meas)",
"value": 0.565
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.643
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
},
{
"resolution_limits": [6.670,6.280],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.606
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [7.130,6.670],
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.225
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 5.460
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.607
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [7.700,7.130],
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 8.540
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.518
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [8.430,7.700],
"number_observations_unique": 1230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.306
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [9.430,8.430],
"number_observations_unique": 1113,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 28.030
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.049
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [10.880,9.430],
"number_observations_unique": 951,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 45.070
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.340
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [13.330,10.880],
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 65.870
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.887
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [18.850,13.330],
"number_observations_unique": 654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.015
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 82.770
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.815
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [32.590,18.850],
"number_observations_unique": 320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.010
},
{
"type": "R(meas)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 117.770
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 3.734
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}