{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5c458d119ee627e5aa82dc7342a4aaf",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 152.7,
"b": 152.7,
"c": 129.5,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000,0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.831,2.800],
"number_observations_unique": 38042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 24.36
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.29
}
]
},
"refln_shells": [
{
"resolution_limits": [2.870,2.800],
"number_observations": 36391,
"number_observations_unique": 2773,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.737
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [2.950,2.870],
"number_observations": 35639,
"number_observations_unique": 2700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "I/SigI",
"value": 4.270
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.040,2.950],
"number_observations": 36785,
"number_observations_unique": 2624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.479
},
{
"type": "I/SigI",
"value": 5.560
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.130,3.040],
"number_observations": 35256,
"number_observations_unique": 2539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.230,3.130],
"number_observations": 34082,
"number_observations_unique": 2482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "I/SigI",
"value": 8.580
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.350,3.230],
"number_observations": 32394,
"number_observations_unique": 2394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 11.790
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.470,3.350],
"number_observations": 29783,
"number_observations_unique": 2318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 15.170
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.610,3.470],
"number_observations": 29464,
"number_observations_unique": 2241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 19.310
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.780,3.610],
"number_observations": 29177,
"number_observations_unique": 2136,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 24.420
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.960,3.780],
"number_observations": 28239,
"number_observations_unique": 2061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 29.960
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.170,3.960],
"number_observations": 26582,
"number_observations_unique": 1970,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 34.990
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.430,4.170],
"number_observations": 24496,
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 39.420
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.730,4.430],
"number_observations": 22481,
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 43.060
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [5.110,4.730],
"number_observations": 21821,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 44.730
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [5.600,5.110],
"number_observations": 20518,
"number_observations_unique": 1512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 42.630
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [6.260,5.600],
"number_observations": 18117,
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 43.890
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [7.230,6.260],
"number_observations": 14963,
"number_observations_unique": 1237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 48.290
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [8.850,7.230],
"number_observations": 13674,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 60.530
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [12.520,8.850],
"number_observations": 10045,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 66.420
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [49.831,12.520],
"number_observations": 5601,
"number_observations_unique": 499,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 66.890
},
{
"type": "Completeness",
"value": 97.8
}
]
}
]
}
|