Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "59defda67d057eaed042e99ff5d4f8e7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 73.61,
"b": 38.80,
"c": 53.17,
"alpha": 90.00,
"beta": 124.75,
"gamma": 90.00
},
"wavelengths": [1.28090],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.688,2.350],
"number_observations": 34129,
"number_observations_unique": 5224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 8.730
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.533
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.350],
"number_observations": 3573,
"number_observations_unique": 550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.775
},
{
"type": "R(meas)",
"value": 0.843
},
{
"type": "I/SigI",
"value": 2.330
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.496
},
{
"type": "CC(1/2)",
"value": 0.901
}
]
},
{
"resolution_limits": [2.550,2.440],
"number_observations": 3682,
"number_observations_unique": 567,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.651
},
{
"type": "R(meas)",
"value": 0.707
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.494
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.670,2.550],
"number_observations": 3481,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.643
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [2.820,2.670],
"number_observations": 3479,
"number_observations_unique": 529,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.353
},
{
"type": "R(meas)",
"value": 0.384
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.577
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [3.000,2.820],
"number_observations": 3540,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "R(meas)",
"value": 0.311
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.887
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [3.200,3.000],
"number_observations": 2941,
"number_observations_unique": 437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "I/SigI",
"value": 7.280
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.730
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.400,3.200],
"number_observations": 2111,
"number_observations_unique": 337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 9.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.264
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.700,3.400],
"number_observations": 2494,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 12.780
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.444
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.000,3.700],
"number_observations": 1768,
"number_observations_unique": 279,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 14.970
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.337
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 3466,
"number_observations_unique": 517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 17.260
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.704
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 1572,
"number_observations_unique": 248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 16.470
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.339
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.000,6.000],
"number_observations": 1113,
"number_observations_unique": 187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.952
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [10.000,8.000],
"number_observations": 437,
"number_observations_unique": 69,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 23.500
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.333
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [15.000,10.000],
"number_observations": 341,
"number_observations_unique": 53,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 24.310
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 6.434
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [20.000,15.000],
"number_observations": 85,
"number_observations_unique": 15,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 24.050
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.667
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.688,20.000],
"number_observations": 46,
"number_observations_unique": 11,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 20.510
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 4.182
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}