Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59475f44a3dd0893e846b6d0fe83e0ce",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 131.79,
"b": 142.36,
"c": 234.23,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.850,2.950],
"number_observations": 573436,
"number_observations_unique": 91660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 9.410
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.256
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.950],
"number_observations": 47409,
"number_observations_unique": 6805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.828
},
{
"type": "R(meas)",
"value": 0.894
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.967
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [3.110,3.030],
"number_observations": 45750,
"number_observations_unique": 6649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.613
},
{
"type": "R(meas)",
"value": 0.663
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.881
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [3.200,3.110],
"number_observations": 43613,
"number_observations_unique": 6472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.571
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.739
},
{
"type": "CC(1/2)",
"value": 0.871
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 40809,
"number_observations_unique": 6311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 3.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.466
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [3.410,3.300],
"number_observations": 37716,
"number_observations_unique": 6019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.386
},
{
"type": "R(meas)",
"value": 0.422
},
{
"type": "I/SigI",
"value": 4.370
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.266
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [3.530,3.410],
"number_observations": 32292,
"number_observations_unique": 5701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 6.020
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 5.664
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.660,3.530],
"number_observations": 33100,
"number_observations_unique": 5348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "I/SigI",
"value": 8.030
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 6.189
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.810,3.660],
"number_observations": 33034,
"number_observations_unique": 5150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 8.320
},
{
"type": "Completeness",
"value": 93.900
},
{
"type": "Redundancy",
"value": 6.414
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [3.980,3.810],
"number_observations": 26821,
"number_observations_unique": 4735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 89.800
},
{
"type": "Redundancy",
"value": 5.664
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.170,3.980],
"number_observations": 31808,
"number_observations_unique": 5039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.144
},
{
"type": "I/SigI",
"value": 11.920
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.312
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.400,4.170],
"number_observations": 28028,
"number_observations_unique": 4820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 12.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.815
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.660,4.400],
"number_observations": 26460,
"number_observations_unique": 4551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 14.570
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.814
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.990,4.660],
"number_observations": 26898,
"number_observations_unique": 4301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.280
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.254
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.390,4.990],
"number_observations": 25124,
"number_observations_unique": 3987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 15.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.301
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [5.900,5.390],
"number_observations": 22986,
"number_observations_unique": 3704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 15.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.206
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [6.600,5.900],
"number_observations": 19468,
"number_observations_unique": 3374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 14.560
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.770
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [7.620,6.600],
"number_observations": 17951,
"number_observations_unique": 2984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 16.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.016
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [9.330,7.620],
"number_observations": 15927,
"number_observations_unique": 2551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 20.520
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.243
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [13.190,9.330],
"number_observations": 11411,
"number_observations_unique": 2017,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.657
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [48.850,13.190],
"number_observations": 6831,
"number_observations_unique": 1142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 23.460
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.982
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}