Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "df4f357a504c5122c9fe4da157349fa0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 60.40,
"b": 71.15,
"c": 113.47,
"alpha": 90.00,
"beta": 102.36,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.689,1.550],
"number_observations_unique": 136069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 25.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.418
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 9992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.510
},
{
"type": "I/SigI",
"value": 2.620
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.964
},
{
"type": "CC(1/2)",
"value": 0.805
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 9803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.425
},
{
"type": "I/SigI",
"value": 4.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.075
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [1.680,1.630],
"number_observations_unique": 9482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 4.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.896
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [1.730,1.680],
"number_observations_unique": 9253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 5.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.256
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [1.790,1.730],
"number_observations_unique": 8920,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 7.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.669
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.850,1.790],
"number_observations_unique": 8626,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 9.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.024
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.920,1.850],
"number_observations_unique": 8410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 11.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.473
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.000,1.920],
"number_observations_unique": 8032,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 14.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.894
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.090,2.000],
"number_observations_unique": 7758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.307
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.190,2.090],
"number_observations_unique": 7356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 23.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.748
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.310,2.190],
"number_observations_unique": 7038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 29.130
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.879
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.450,2.310],
"number_observations_unique": 6654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 34.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.543
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.620,2.450],
"number_observations_unique": 6265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 40.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.331
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.830,2.620],
"number_observations_unique": 5821,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 46.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.382
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.100,2.830],
"number_observations_unique": 5385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 56.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.989
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.100],
"number_observations_unique": 4857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 69.010
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 20.729
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.000,3.470],
"number_observations_unique": 4331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 80.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.103
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.900,4.000],
"number_observations_unique": 3632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 89.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 22.251
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.930,4.900],
"number_observations_unique": 2843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 81.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.424
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [44.689,6.930],
"number_observations_unique": 1611,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 92.470
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 21.501
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}