Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f66905c784d2e540ebf44c1b74a96904",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.497,
"b": 92.960,
"c": 120.809,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.48,2.090],
"number_observations": 376450,
"number_observations_unique": 56959,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.609
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.090],
"number_observations": 26963,
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.591
},
{
"type": "R(meas)",
"value": 1.729
},
{
"type": "I/SigI",
"value": 1.370
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.483
},
{
"type": "CC(1/2)",
"value": 0.492
}
]
},
{
"resolution_limits": [2.200,2.140],
"number_observations": 27865,
"number_observations_unique": 4038,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.567
},
{
"type": "R(meas)",
"value": 1.693
},
{
"type": "I/SigI",
"value": 1.430
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.901
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations": 26994,
"number_observations_unique": 3944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.974
},
{
"type": "R(meas)",
"value": 1.053
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.844
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [2.340,2.270],
"number_observations": 25888,
"number_observations_unique": 3817,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.098
},
{
"type": "R(meas)",
"value": 1.188
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [2.410,2.340],
"number_observations": 24828,
"number_observations_unique": 3742,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.662
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "I/SigI",
"value": 3.390
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.635
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [2.500,2.410],
"number_observations": 23025,
"number_observations_unique": 3580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 4.180
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.432
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [2.590,2.500],
"number_observations": 21963,
"number_observations_unique": 3474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.456
},
{
"type": "I/SigI",
"value": 5.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.322
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.700,2.590],
"number_observations": 22819,
"number_observations_unique": 3346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.323
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 6.830
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.820
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.820,2.700],
"number_observations": 22284,
"number_observations_unique": 3246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.251
},
{
"type": "I/SigI",
"value": 8.930
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.865
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations": 20968,
"number_observations_unique": 3076,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 10.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.817
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.120,2.960],
"number_observations": 19774,
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 13.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.708
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [3.300,3.120],
"number_observations": 17430,
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 17.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.270
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.530,3.300],
"number_observations": 17234,
"number_observations_unique": 2618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.583
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.820,3.530],
"number_observations": 16872,
"number_observations_unique": 2472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 23.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.180,3.820],
"number_observations": 15025,
"number_observations_unique": 2261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.340
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.645
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.670,4.180],
"number_observations": 12824,
"number_observations_unique": 2074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.183
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.400,4.670],
"number_observations": 11368,
"number_observations_unique": 1826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 31.350
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.226
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.610,5.400],
"number_observations": 10540,
"number_observations_unique": 1588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 31.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.637
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [9.350,6.610],
"number_observations": 7426,
"number_observations_unique": 1241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 33.450
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.984
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [46.480,9.350],
"number_observations": 4360,
"number_observations_unique": 729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 39.720
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 5.981
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}