{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a23137188ea9145b6070755b808a8ef3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 87.768,
"b": 81.626,
"c": 93.480,
"alpha": 90.00,
"beta": 108.57,
"gamma": 90.00
},
"wavelengths": [0.82700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.400,1.67],
"number_observations": 501382,
"number_observations_unique": 68882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 11.670
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.901
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.77,1.67],
"number_observations": 76914,
"number_observations_unique": 11743,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.652
},
{
"type": "R(meas)",
"value": 2.876
},
{
"type": "I/SigI",
"value": 0.51
},
{
"type": "Completeness",
"value": 0.968
},
{
"type": "Redundancy",
"value": 6.55
},
{
"type": "CC(1/2)",
"value": 0.324
}
]
},
{
"resolution_limits": [1.89,1.77],
"number_observations": 75796,
"number_observations_unique": 11040,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.405
},
{
"type": "R(meas)",
"value": 1.522
},
{
"type": "I/SigI",
"value": 1.08
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.87
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [2.04,1.89],
"number_observations": 70629,
"number_observations_unique": 10319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.652
},
{
"type": "R(meas)",
"value": 0.706
},
{
"type": "I/SigI",
"value": 2.49
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [2.23,2.04],
"number_observations": 65017,
"number_observations_unique": 9489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "I/SigI",
"value": 5.27
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.85
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.50,2.23],
"number_observations": 61383,
"number_observations_unique": 8602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 10.06
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.14
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.88,2.50],
"number_observations": 53440,
"number_observations_unique": 7588,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 16.97
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.52,2.88],
"number_observations": 44241,
"number_observations_unique": 6466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 29.29
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.84
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.97,3.52],
"number_observations": 34694,
"number_observations_unique": 4998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 43.77
},
{
"type": "Completeness",
"value": 0.999
},
{
"type": "Redundancy",
"value": 6.94
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,4.97],
"number_observations": 19267,
"number_observations_unique": 2835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 46.59
},
{
"type": "Completeness",
"value": 0.994
},
{
"type": "Redundancy",
"value": 6.80
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}
|