Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de9d5863779f4e07b9269dde37831548",
"space_group_name": "H 3",
"unit_cell": {
"a": 134.850,
"b": 134.850,
"c": 235.961,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.75,2.120],
"number_observations": 518421,
"number_observations_unique": 89202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 13.750
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.812
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.180,2.120],
"number_observations": 39214,
"number_observations_unique": 6665,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.241
},
{
"type": "R(meas)",
"value": 1.361
},
{
"type": "I/SigI",
"value": 1.370
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.884
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [2.230,2.180],
"number_observations": 35497,
"number_observations_unique": 6334,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.164
},
{
"type": "R(meas)",
"value": 1.285
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.604
},
{
"type": "CC(1/2)",
"value": 0.610
}
]
},
{
"resolution_limits": [2.300,2.230],
"number_observations": 33499,
"number_observations_unique": 6222,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(meas)",
"value": 1.264
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.384
},
{
"type": "CC(1/2)",
"value": 0.581
}
]
},
{
"resolution_limits": [2.370,2.300],
"number_observations": 37159,
"number_observations_unique": 6118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "I/SigI",
"value": 2.870
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.074
},
{
"type": "CC(1/2)",
"value": 0.819
}
]
},
{
"resolution_limits": [2.450,2.370],
"number_observations": 35687,
"number_observations_unique": 5890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "R(meas)",
"value": 0.524
},
{
"type": "I/SigI",
"value": 3.560
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.059
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [2.530,2.450],
"number_observations": 33984,
"number_observations_unique": 5698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "R(meas)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 4.330
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.964
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [2.630,2.530],
"number_observations": 32211,
"number_observations_unique": 5483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.875
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [2.740,2.630],
"number_observations": 29134,
"number_observations_unique": 5280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 7.020
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.518
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.860,2.740],
"number_observations": 29928,
"number_observations_unique": 5127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "I/SigI",
"value": 8.770
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.837
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.000,2.860],
"number_observations": 29511,
"number_observations_unique": 4857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 11.590
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.076
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.160,3.000],
"number_observations": 27767,
"number_observations_unique": 4613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 14.940
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.019
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.350,3.160],
"number_observations": 25786,
"number_observations_unique": 4358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.917
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.580,3.350],
"number_observations": 22024,
"number_observations_unique": 4039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 24.770
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.453
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.870,3.580],
"number_observations": 21705,
"number_observations_unique": 3765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 30.390
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 5.765
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.240,3.870],
"number_observations": 20754,
"number_observations_unique": 3499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 36.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.931
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.740,4.240],
"number_observations": 18506,
"number_observations_unique": 3162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.580
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.853
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.470,4.740],
"number_observations": 15274,
"number_observations_unique": 2827,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.403
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.700,5.470],
"number_observations": 14527,
"number_observations_unique": 2412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.620
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.023
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.480,6.700],
"number_observations": 10520,
"number_observations_unique": 1846,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.699
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.750,9.480],
"number_observations": 5734,
"number_observations_unique": 1007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 50.420
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.694
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}