Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc588156e0b3da235f2139a3115452bf",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 107.96,
"b": 107.96,
"c": 354.52,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00582],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.853,2.950],
"number_observations": 821267,
"number_observations_unique": 43138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.03058
},
{
"type": "I/SigI",
"value": 14.640
},
{
"type": "Completeness",
"value": 83.700
},
{
"type": "Redundancy",
"value": 19.038
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.030,2.950],
"number_observations": 4882,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.874
},
{
"type": "R(meas)",
"value": 1.933
},
{
"type": "I/SigI",
"value": 1.450
},
{
"type": "Completeness",
"value": 7.900
},
{
"type": "Redundancy",
"value": 16.549
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [3.110,3.030],
"number_observations": 15023,
"number_observations_unique": 874,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.776
},
{
"type": "R(meas)",
"value": 1.830
},
{
"type": "I/SigI",
"value": 1.580
},
{
"type": "Completeness",
"value": 23.900
},
{
"type": "Redundancy",
"value": 17.189
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [3.200,3.110],
"number_observations": 28014,
"number_observations_unique": 1698,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.724
},
{
"type": "R(meas)",
"value": 1.778
},
{
"type": "I/SigI",
"value": 1.510
},
{
"type": "Completeness",
"value": 48.000
},
{
"type": "Redundancy",
"value": 16.498
},
{
"type": "CC(1/2)",
"value": 0.653
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 49169,
"number_observations_unique": 3163,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.851
},
{
"type": "R(meas)",
"value": 1.911
},
{
"type": "I/SigI",
"value": 1.340
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 15.545
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [3.410,3.300],
"number_observations": 62662,
"number_observations_unique": 3351,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.529
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 18.699
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [3.530,3.410],
"number_observations": 65581,
"number_observations_unique": 3270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.021
},
{
"type": "I/SigI",
"value": 3.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.055
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [3.660,3.530],
"number_observations": 65083,
"number_observations_unique": 3121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.710
},
{
"type": "R(meas)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 4.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.853
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [3.810,3.660],
"number_observations": 63009,
"number_observations_unique": 3045,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 7.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.693
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.980,3.810],
"number_observations": 59156,
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.325
},
{
"type": "R(meas)",
"value": 0.333
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.238
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.180,3.980],
"number_observations": 53790,
"number_observations_unique": 2780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "I/SigI",
"value": 13.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.349
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.400,4.180],
"number_observations": 50715,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.327
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.670,4.400],
"number_observations": 52043,
"number_observations_unique": 2555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 22.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.369
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.990,4.670],
"number_observations": 47462,
"number_observations_unique": 2366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 24.760
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.060
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.390,4.990],
"number_observations": 43570,
"number_observations_unique": 2245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 24.530
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.408
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.910,5.390],
"number_observations": 37889,
"number_observations_unique": 2040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 25.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 18.573
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.600,5.910],
"number_observations": 37032,
"number_observations_unique": 1867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 29.260
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.835
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.620,6.600],
"number_observations": 31180,
"number_observations_unique": 1682,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 34.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.537
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [9.340,7.620],
"number_observations": 24448,
"number_observations_unique": 1433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 37.430
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 17.061
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [13.210,9.340],
"number_observations": 20444,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 40.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 17.933
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [39.853,13.210],
"number_observations": 10115,
"number_observations_unique": 666,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 36.690
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 15.188
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}