Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "514c0acbd9060d270b4e10f9542f3caf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.69,
"b": 119.59,
"c": 61.89,
"alpha": 90.00,
"beta": 94.92,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.52,2.190],
"number_observations": 116317,
"number_observations_unique": 34031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 4.680
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.450
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.250,2.190],
"number_observations": 8320,
"number_observations_unique": 2528,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.460
},
{
"type": "R(meas)",
"value": 1.746
},
{
"type": "I/SigI",
"value": 0.810
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.291
},
{
"type": "CC(1/2)",
"value": 0.342
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations": 8185,
"number_observations_unique": 2418,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.331
},
{
"type": "R(meas)",
"value": 1.583
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.385
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [2.380,2.310],
"number_observations": 8502,
"number_observations_unique": 2389,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.054
},
{
"type": "R(meas)",
"value": 1.244
},
{
"type": "I/SigI",
"value": 1.210
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.559
},
{
"type": "CC(1/2)",
"value": 0.499
}
]
},
{
"resolution_limits": [2.450,2.380],
"number_observations": 7984,
"number_observations_unique": 2267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 1.073
},
{
"type": "I/SigI",
"value": 1.380
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.522
},
{
"type": "CC(1/2)",
"value": 0.586
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations": 7820,
"number_observations_unique": 2258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(meas)",
"value": 0.877
},
{
"type": "I/SigI",
"value": 1.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.463
},
{
"type": "CC(1/2)",
"value": 0.668
}
]
},
{
"resolution_limits": [2.620,2.530],
"number_observations": 7243,
"number_observations_unique": 2150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.598
},
{
"type": "R(meas)",
"value": 0.713
},
{
"type": "I/SigI",
"value": 2.080
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.369
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [2.720,2.620],
"number_observations": 6825,
"number_observations_unique": 2101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.465
},
{
"type": "R(meas)",
"value": 0.556
},
{
"type": "I/SigI",
"value": 2.540
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.248
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [2.830,2.720],
"number_observations": 6677,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "R(meas)",
"value": 0.493
},
{
"type": "I/SigI",
"value": 2.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.324
},
{
"type": "CC(1/2)",
"value": 0.859
}
]
},
{
"resolution_limits": [2.950,2.830],
"number_observations": 6717,
"number_observations_unique": 1921,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.497
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [3.100,2.950],
"number_observations": 6476,
"number_observations_unique": 1845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 4.510
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.510
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [3.260,3.100],
"number_observations": 6161,
"number_observations_unique": 1765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.491
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [3.460,3.260],
"number_observations": 5527,
"number_observations_unique": 1647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 6.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.356
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [3.700,3.460],
"number_observations": 5201,
"number_observations_unique": 1558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 7.780
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.338
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.000,3.700],
"number_observations": 5292,
"number_observations_unique": 1461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 10.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.622
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.380,4.000],
"number_observations": 4770,
"number_observations_unique": 1338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 12.180
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.565
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.900,4.380],
"number_observations": 4133,
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 12.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.421
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.650,4.900],
"number_observations": 3581,
"number_observations_unique": 1096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.267
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [6.930,5.650],
"number_observations": 3209,
"number_observations_unique": 897,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 11.980
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.577
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [9.790,6.930],
"number_observations": 2346,
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 14.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.309
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [45.522,9.790],
"number_observations": 1348,
"number_observations_unique": 402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.890
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.353
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}