Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f69dc98a15a34f9a70f793f85fb69f1c",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.698,
"b": 135.698,
"c": 234.384,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.64,2.790],
"number_observations": 206494,
"number_observations_unique": 39945,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 8.430
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.169
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.860,2.790],
"number_observations": 14841,
"number_observations_unique": 2946,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.873
},
{
"type": "R(meas)",
"value": 2.094
},
{
"type": "I/SigI",
"value": 0.960
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.038
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [2.940,2.860],
"number_observations": 14723,
"number_observations_unique": 2857,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.398
},
{
"type": "R(meas)",
"value": 1.558
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.153
},
{
"type": "CC(1/2)",
"value": 0.431
}
]
},
{
"resolution_limits": [3.030,2.940],
"number_observations": 15363,
"number_observations_unique": 2823,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.072
},
{
"type": "R(meas)",
"value": 1.186
},
{
"type": "I/SigI",
"value": 1.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.442
},
{
"type": "CC(1/2)",
"value": 0.576
}
]
},
{
"resolution_limits": [3.120,3.030],
"number_observations": 14831,
"number_observations_unique": 2719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.875
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.455
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [3.220,3.120],
"number_observations": 14157,
"number_observations_unique": 2639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.721
},
{
"type": "I/SigI",
"value": 2.880
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.365
},
{
"type": "CC(1/2)",
"value": 0.798
}
]
},
{
"resolution_limits": [3.340,3.220],
"number_observations": 13438,
"number_observations_unique": 2527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.562
},
{
"type": "I/SigI",
"value": 3.690
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.318
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [3.460,3.340],
"number_observations": 12703,
"number_observations_unique": 2510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 5.080
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.061
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [3.600,3.460],
"number_observations": 11989,
"number_observations_unique": 2340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 6.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.124
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [3.760,3.600],
"number_observations": 11987,
"number_observations_unique": 2290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 8.340
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.234
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.950,3.760],
"number_observations": 11511,
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.060
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.302
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.160,3.950],
"number_observations": 10716,
"number_observations_unique": 2043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 12.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.245
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.410,4.160],
"number_observations": 10073,
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 13.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.111
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.720,4.410],
"number_observations": 8895,
"number_observations_unique": 1829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 15.590
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.863
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.090,4.720],
"number_observations": 8668,
"number_observations_unique": 1711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.066
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.580,5.090],
"number_observations": 8183,
"number_observations_unique": 1573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 16.880
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.202
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [6.240,5.580],
"number_observations": 7230,
"number_observations_unique": 1426,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 16.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.070
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [7.200,6.240],
"number_observations": 5792,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 17.740
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.641
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [8.820,7.200],
"number_observations": 5296,
"number_observations_unique": 1052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 21.350
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.034
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [12.480,8.820],
"number_observations": 3933,
"number_observations_unique": 833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 22.630
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.721
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [43.640,12.480],
"number_observations": 2165,
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 23.710
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.954
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}