Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b400f407ddcf338806f2058e944c8ddc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 101.97,
"b": 392.23,
"c": 81.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.339,4.200],
"number_observations_unique": 22914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.0716
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 4.310
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.076
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [4.450,4.200],
"number_observations_unique": 3637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.6760
},
{
"type": "R(meas)",
"value": 6.993
},
{
"type": "I/SigI",
"value": 0.590
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 15.356
},
{
"type": "CC(1/2)",
"value": 0.300
}
]
},
{
"resolution_limits": [4.760,4.450],
"number_observations_unique": 3512,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.738
},
{
"type": "R(meas)",
"value": 1.798
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 15.344
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [5.140,4.760],
"number_observations_unique": 3235,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.494
},
{
"type": "R(meas)",
"value": 1.545
},
{
"type": "I/SigI",
"value": 2.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.342
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [5.630,5.140],
"number_observations_unique": 3009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.995
},
{
"type": "R(meas)",
"value": 1.030
},
{
"type": "I/SigI",
"value": 2.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.164
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [6.290,5.630],
"number_observations_unique": 2688,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.916
},
{
"type": "R(meas)",
"value": 0.949
},
{
"type": "I/SigI",
"value": 2.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.578
},
{
"type": "CC(1/2)",
"value": 0.844
}
]
},
{
"resolution_limits": [7.260,6.290],
"number_observations_unique": 2403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.564
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [8.880,7.260],
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 8.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.862
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [12.510,8.880],
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "I/SigI",
"value": 16.140
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 16.448
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [49.339,12.510],
"number_observations_unique": 867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 18.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 16.009
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}