Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04d686c811452f9251deca1d3c3db688",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 209.655,
"b": 448.741,
"c": 623.994,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.890,3.500],
"number_observations": 3383227,
"number_observations_unique": 725815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.330
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "I/SigI",
"value": 4.480
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.661
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.710,3.500],
"number_observations": 538310,
"number_observations_unique": 114996,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.779
},
{
"type": "R(meas)",
"value": 3.130
},
{
"type": "I/SigI",
"value": 0.640
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.681
},
{
"type": "CC(1/2)",
"value": 0.152
}
]
},
{
"resolution_limits": [3.960,3.710],
"number_observations": 516641,
"number_observations_unique": 110721,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.740
},
{
"type": "R(meas)",
"value": 1.962
},
{
"type": "I/SigI",
"value": 1.030
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.666
},
{
"type": "CC(1/2)",
"value": 0.281
}
]
},
{
"resolution_limits": [4.280,3.960],
"number_observations": 462041,
"number_observations_unique": 101657,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.129
},
{
"type": "R(meas)",
"value": 1.277
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.545
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [4.690,4.280],
"number_observations": 457736,
"number_observations_unique": 95037,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.731
},
{
"type": "R(meas)",
"value": 0.819
},
{
"type": "I/SigI",
"value": 2.460
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.816
},
{
"type": "CC(1/2)",
"value": 0.697
}
]
},
{
"resolution_limits": [5.240,4.690],
"number_observations": 400810,
"number_observations_unique": 86044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "R(meas)",
"value": 0.534
},
{
"type": "I/SigI",
"value": 3.590
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.658
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [6.050,5.240],
"number_observations": 349503,
"number_observations_unique": 75140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 5.340
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.651
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [7.410,6.050],
"number_observations": 305397,
"number_observations_unique": 64631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 7.650
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.725
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [10.480,7.410],
"number_observations": 226927,
"number_observations_unique": 49602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 14.320
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.575
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [49.890,10.480],
"number_observations": 125862,
"number_observations_unique": 27987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 27.290
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.497
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}