Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa33eaf7fe12ec2a32abb4a123338263",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 133.02,
"b": 133.77,
"c": 39.63,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99987],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.162,2.300],
"number_observations_unique": 16070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 8.360
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.396
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.300],
"number_observations_unique": 1060,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(meas)",
"value": 1.245
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 89.900
},
{
"type": "Redundancy",
"value": 5.858
},
{
"type": "CC(1/2)",
"value": 0.633
}
]
},
{
"resolution_limits": [2.420,2.360],
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.134
},
{
"type": "I/SigI",
"value": 1.620
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.941
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [2.490,2.420],
"number_observations_unique": 1131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.954
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "I/SigI",
"value": 1.820
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.814
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [2.570,2.490],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.772
},
{
"type": "R(meas)",
"value": 0.837
},
{
"type": "I/SigI",
"value": 2.260
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.664
},
{
"type": "CC(1/2)",
"value": 0.817
}
]
},
{
"resolution_limits": [2.650,2.570],
"number_observations_unique": 1055,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.629
},
{
"type": "R(meas)",
"value": 0.683
},
{
"type": "I/SigI",
"value": 2.850
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.589
},
{
"type": "CC(1/2)",
"value": 0.863
}
]
},
{
"resolution_limits": [2.750,2.650],
"number_observations_unique": 1010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.583
},
{
"type": "I/SigI",
"value": 3.160
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.122
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [2.850,2.750],
"number_observations_unique": 1002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.399
},
{
"type": "I/SigI",
"value": 4.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.613
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [2.970,2.850],
"number_observations_unique": 930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.323
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.773
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [3.100,2.970],
"number_observations_unique": 924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 7.440
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.734
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.250,3.100],
"number_observations_unique": 876,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 8.660
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.545
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.420,3.250],
"number_observations_unique": 832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 10.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.370
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [3.630,3.420],
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 12.280
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.688
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.880,3.630],
"number_observations_unique": 732,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 15.620
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.481
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.190,3.880],
"number_observations_unique": 709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 17.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.346
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [4.600,4.190],
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 19.070
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.313
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [5.140,4.600],
"number_observations_unique": 593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 18.380
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.685
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.930,5.140],
"number_observations_unique": 521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.010
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [7.270,5.930],
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 19.590
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.251
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [10.270,7.270],
"number_observations_unique": 364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.657
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [47.162,10.270],
"number_observations_unique": 213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 23.170
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.610
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}