Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a4f8e242617f5e8a103552adea15215",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.129,
"b": 92.072,
"c": 120.457,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.97,1.820],
"number_observations": 621655,
"number_observations_unique": 84492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.358
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.820],
"number_observations": 44532,
"number_observations_unique": 6166,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.369
},
{
"type": "R(meas)",
"value": 1.474
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.222
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
},
{
"resolution_limits": [1.920,1.870],
"number_observations": 46660,
"number_observations_unique": 6052,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.187
},
{
"type": "R(meas)",
"value": 1.271
},
{
"type": "I/SigI",
"value": 1.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.710
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [1.970,1.920],
"number_observations": 44718,
"number_observations_unique": 5830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.864
},
{
"type": "R(meas)",
"value": 0.926
},
{
"type": "I/SigI",
"value": 2.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.670
},
{
"type": "CC(1/2)",
"value": 0.765
}
]
},
{
"resolution_limits": [2.030,1.970],
"number_observations": 42889,
"number_observations_unique": 5678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.607
},
{
"type": "R(meas)",
"value": 0.651
},
{
"type": "I/SigI",
"value": 2.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.554
},
{
"type": "CC(1/2)",
"value": 0.880
}
]
},
{
"resolution_limits": [2.100,2.030],
"number_observations": 40948,
"number_observations_unique": 5552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.467
},
{
"type": "R(meas)",
"value": 0.502
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.375
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [2.180,2.100],
"number_observations": 37672,
"number_observations_unique": 5326,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 4.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.073
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [2.260,2.180],
"number_observations": 37017,
"number_observations_unique": 5160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 5.520
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.174
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.350,2.260],
"number_observations": 38516,
"number_observations_unique": 4989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 7.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.720
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.450,2.350],
"number_observations": 36701,
"number_observations_unique": 4786,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 9.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.668
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.570,2.450],
"number_observations": 34643,
"number_observations_unique": 4571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 11.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.579
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.710,2.570],
"number_observations": 32529,
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.415
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.880,2.710],
"number_observations": 28176,
"number_observations_unique": 4104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 17.250
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.865
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.080,2.880],
"number_observations": 29544,
"number_observations_unique": 3899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 22.040
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.577
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.320,3.080],
"number_observations": 27248,
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 27.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.492
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.640,3.320],
"number_observations": 24378,
"number_observations_unique": 3357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 31.380
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.262
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.070,3.640],
"number_observations": 20205,
"number_observations_unique": 3048,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 33.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.700,4.070],
"number_observations": 19090,
"number_observations_unique": 2725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.006
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.760,4.700],
"number_observations": 16854,
"number_observations_unique": 2315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 39.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.280
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.140,5.760],
"number_observations": 12081,
"number_observations_unique": 1833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 37.840
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.591
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [68.970,8.140],
"number_observations": 7254,
"number_observations_unique": 1077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 45.280
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.735
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}