Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b71e8935ed6c2e15e580d260b585ac2b",
"space_group_name": "P 62 2 2",
"unit_cell": {
"a": 107.85,
"b": 107.85,
"c": 119.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.7,1.85],
"number_observations_unique": 35445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 28.8
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 21.7
},
{
"type": "CC(1/2)",
"value": 1
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.850],
"number_observations_unique": 5001,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.588
},
{
"type": "R(meas)",
"value": 1.625
},
{
"type": "I/SigI",
"value": 2.240
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 22.163
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 5943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(meas)",
"value": 0.842
},
{
"type": "I/SigI",
"value": 4.470
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.724
},
{
"type": "CC(1/2)",
"value": 0.932
}
]
},
{
"resolution_limits": [2.300,2.100],
"number_observations_unique": 5728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.356
},
{
"type": "R(meas)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 9.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.632
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.500,2.300],
"number_observations_unique": 4036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "I/SigI",
"value": 17.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.383
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.000,2.500],
"number_observations_unique": 6069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 31.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.782
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations_unique": 4885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 63.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.822
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations_unique": 1781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 90.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.427
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations_unique": 813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 92.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.817
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations_unique": 901,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 98.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.619
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [46.700,10.000],
"number_observations_unique": 288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 98.360
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 17.264
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}