Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ef20898e566664efa04f3c7e177d64d",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.358,
"b": 135.358,
"c": 235.610,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.72,1.950],
"number_observations": 445565,
"number_observations_unique": 115608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 13.890
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.854
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 27851,
"number_observations_unique": 7794,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "R(meas)",
"value": 1.058
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 3.573
},
{
"type": "CC(1/2)",
"value": 0.547
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 32479,
"number_observations_unique": 8369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "R(meas)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 2.090
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.881
},
{
"type": "CC(1/2)",
"value": 0.687
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 31407,
"number_observations_unique": 8098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(meas)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.590
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.878
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 30624,
"number_observations_unique": 7881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.387
},
{
"type": "R(meas)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.886
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 29822,
"number_observations_unique": 7699,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.314
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.873
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations": 28839,
"number_observations_unique": 7418,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 5.410
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.888
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations": 27805,
"number_observations_unique": 7135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 6.570
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.897
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 27093,
"number_observations_unique": 6948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.899
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations": 25785,
"number_observations_unique": 6615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 10.250
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.898
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations": 24792,
"number_observations_unique": 6361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 12.320
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.898
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 23420,
"number_observations_unique": 6006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 14.630
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.899
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations": 22383,
"number_observations_unique": 5748,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 18.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.894
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations": 20794,
"number_observations_unique": 5355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 22.770
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.883
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations": 19297,
"number_observations_unique": 5020,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.070
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.844
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations": 17391,
"number_observations_unique": 4575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 33.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.801
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations": 15850,
"number_observations_unique": 4167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 37.790
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.804
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations": 14098,
"number_observations_unique": 3695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 40.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.815
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations": 11989,
"number_observations_unique": 3102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 39.860
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.865
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations": 9260,
"number_observations_unique": 2386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 43.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.881
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.720,8.720],
"number_observations": 4586,
"number_observations_unique": 1236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 47.240
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.710
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}