Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77b113af809ed899dae64b11eebaa1e1",
"space_group_name": "P 21 3",
"unit_cell": {
"a": 146.55,
"b": 146.55,
"c": 146.55,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [103.627,2.820],
"number_observations_unique": 25480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 24.01
},
{
"type": "Completeness",
"value": 99.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.820],
"number_observations": 35319,
"number_observations_unique": 3146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "I/SigI",
"value": 4.370
},
{
"type": "Completeness",
"value": 98.8
}
]
},
{
"resolution_limits": [3.180,2.950],
"number_observations": 49873,
"number_observations_unique": 4511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.8
}
]
},
{
"resolution_limits": [3.410,3.180],
"number_observations": 37293,
"number_observations_unique": 3265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "I/SigI",
"value": 13.360
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [3.760,3.410],
"number_observations": 40699,
"number_observations_unique": 3638,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 20.770
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [4.320,3.760],
"number_observations": 40699,
"number_observations_unique": 3676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 31.370
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [5.480,4.320],
"number_observations": 39515,
"number_observations_unique": 3628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 39.540
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [8.460,5.480],
"number_observations": 27803,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 47.030
},
{
"type": "Completeness",
"value": 99.9
}
]
},
{
"resolution_limits": [10.870,8.460],
"number_observations": 5651,
"number_observations_unique": 530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 65.520
},
{
"type": "Completeness",
"value": 99.6
}
]
},
{
"resolution_limits": [15.860,10.870],
"number_observations": 3145,
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 63.450
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [103.627,15.860],
"number_observations": 1463,
"number_observations_unique": 165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 60.970
},
{
"type": "Completeness",
"value": 95.9
}
]
}
]
}