Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "00b93c6d63c38627505b0134d4522dd0",
"space_group_name": "H 3",
"unit_cell": {
"a": 135.473,
"b": 135.473,
"c": 234.913,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.57,2.270],
"number_observations": 386441,
"number_observations_unique": 74263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 15.750
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.204
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.270],
"number_observations": 29162,
"number_observations_unique": 5525,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.409
},
{
"type": "R(meas)",
"value": 1.566
},
{
"type": "I/SigI",
"value": 1.190
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.278
},
{
"type": "CC(1/2)",
"value": 0.450
}
]
},
{
"resolution_limits": [2.390,2.330],
"number_observations": 27941,
"number_observations_unique": 5343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 1.256
},
{
"type": "I/SigI",
"value": 1.470
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.229
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [2.460,2.390],
"number_observations": 26551,
"number_observations_unique": 5261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 1.031
},
{
"type": "I/SigI",
"value": 1.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.047
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [2.540,2.460],
"number_observations": 24994,
"number_observations_unique": 4989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.755
},
{
"type": "R(meas)",
"value": 0.844
},
{
"type": "I/SigI",
"value": 2.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.010
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [2.620,2.540],
"number_observations": 25735,
"number_observations_unique": 4889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "R(meas)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.264
},
{
"type": "CC(1/2)",
"value": 0.835
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations": 25707,
"number_observations_unique": 4789,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.438
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.368
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [2.820,2.710],
"number_observations": 24070,
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 4.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.304
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [2.930,2.820],
"number_observations": 23082,
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 6.330
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.208
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [3.060,2.930],
"number_observations": 20761,
"number_observations_unique": 4185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "I/SigI",
"value": 7.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.961
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.210,3.060],
"number_observations": 20959,
"number_observations_unique": 4058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 11.020
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.165
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.380,3.210],
"number_observations": 20713,
"number_observations_unique": 3824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.417
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.590,3.380],
"number_observations": 19384,
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.330
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.840,3.590],
"number_observations": 17719,
"number_observations_unique": 3411,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 28.740
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.195
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.140,3.840],
"number_observations": 15590,
"number_observations_unique": 3159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.935
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.540,4.140],
"number_observations": 15807,
"number_observations_unique": 2934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 43.560
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.388
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.080,4.540],
"number_observations": 14081,
"number_observations_unique": 2638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.810
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.338
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.860,5.080],
"number_observations": 11879,
"number_observations_unique": 2364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 46.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.025
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.180,5.860],
"number_observations": 10223,
"number_observations_unique": 1944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 50.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.259
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.150,7.180],
"number_observations": 7890,
"number_observations_unique": 1513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 65.690
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.215
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [43.610,10.150],
"number_observations": 4193,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 71.660
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.052
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}