Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e9f98d41bf1a2c800bd3377c8ead70a5",
"space_group_name": "P 1",
"unit_cell": {
"a": 96.975,
"b": 97.118,
"c": 108.347,
"alpha": 66.99,
"beta": 85.93,
"gamma": 77.17
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.540,2.600],
"number_observations_unique": 103306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.440
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 2.712
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.600],
"number_observations": 18571,
"number_observations_unique": 7029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.557
},
{
"type": "R(meas)",
"value": 0.692
},
{
"type": "I/SigI",
"value": 1.850
},
{
"type": "Completeness",
"value": 87.400
},
{
"type": "Redundancy",
"value": 2.642
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [2.740,2.660],
"number_observations": 21180,
"number_observations_unique": 7597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.619
},
{
"type": "I/SigI",
"value": 2.110
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.788
},
{
"type": "CC(1/2)",
"value": 0.866
}
]
},
{
"resolution_limits": [2.820,2.740],
"number_observations": 20450,
"number_observations_unique": 7335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.515
},
{
"type": "I/SigI",
"value": 2.520
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 2.788
},
{
"type": "CC(1/2)",
"value": 0.896
}
]
},
{
"resolution_limits": [2.900,2.820],
"number_observations": 19695,
"number_observations_unique": 7118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.767
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [3.000,2.900],
"number_observations": 19093,
"number_observations_unique": 6942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 2.750
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [3.100,3.000],
"number_observations": 18380,
"number_observations_unique": 6697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "R(meas)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.745
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [3.220,3.100],
"number_observations": 17494,
"number_observations_unique": 6389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.283
},
{
"type": "I/SigI",
"value": 4.710
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.738
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.350,3.220],
"number_observations": 16722,
"number_observations_unique": 6161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 5.690
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 2.714
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.500,3.350],
"number_observations": 15574,
"number_observations_unique": 5818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 6.460
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.677
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.670,3.500],
"number_observations": 14123,
"number_observations_unique": 5406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 7.430
},
{
"type": "Completeness",
"value": 91.000
},
{
"type": "Redundancy",
"value": 2.612
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.870,3.670],
"number_observations": 12807,
"number_observations_unique": 5007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 87.800
},
{
"type": "Redundancy",
"value": 2.558
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [4.110,3.870],
"number_observations": 14152,
"number_observations_unique": 5179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.610
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.733
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [4.390,4.110],
"number_observations": 13468,
"number_observations_unique": 4960,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 10.750
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.715
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.740,4.390],
"number_observations": 12150,
"number_observations_unique": 4504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 11.670
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 2.698
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.190,4.740],
"number_observations": 11444,
"number_observations_unique": 4224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 11.060
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.709
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [5.810,5.190],
"number_observations": 10049,
"number_observations_unique": 3690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.690
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 2.723
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [6.710,5.810],
"number_observations": 8635,
"number_observations_unique": 3247,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 10.330
},
{
"type": "Completeness",
"value": 94.300
},
{
"type": "Redundancy",
"value": 2.659
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [8.210,6.710],
"number_observations": 6732,
"number_observations_unique": 2622,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 12.860
},
{
"type": "Completeness",
"value": 89.700
},
{
"type": "Redundancy",
"value": 2.568
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [11.610,8.210],
"number_observations": 6139,
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 15.410
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.802
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [48.540,11.610],
"number_observations": 3302,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 16.260
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.775
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}