Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0da185bacf56d2a1a5377ed76f533336",
"space_group_name": "P 3",
"unit_cell": {
"a": 84.93,
"b": 84.93,
"c": 89.30,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.650,1.840],
"number_observations": 427375,
"number_observations_unique": 62031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 10.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.890
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.840],
"number_observations": 70724,
"number_observations_unique": 10046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.555
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.040
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [2.080,1.950],
"number_observations": 66647,
"number_observations_unique": 9408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 4.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.084
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [2.250,2.080],
"number_observations": 61035,
"number_observations_unique": 8774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 6.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.956
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [2.470,2.250],
"number_observations": 52858,
"number_observations_unique": 8047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 9.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.569
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.760,2.470],
"number_observations": 48921,
"number_observations_unique": 7319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.684
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.180,2.760],
"number_observations": 45911,
"number_observations_unique": 6428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 15.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.142
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.890,3.180],
"number_observations": 37303,
"number_observations_unique": 5445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 18.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.851
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [5.480,3.890],
"number_observations": 26693,
"number_observations_unique": 4216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 19.020
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.331
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [44.650,5.480],
"number_observations": 17283,
"number_observations_unique": 2348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 20.070
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.361
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}