Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fde5fd6981f830d5f62264a2e1fdafd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.019,
"b": 72.242,
"c": 103.883,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.89500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.019,1.820],
"number_observations": 252127,
"number_observations_unique": 31169,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 21.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.089
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.820],
"number_observations": 40170,
"number_observations_unique": 4925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.507
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.060,1.930],
"number_observations": 38494,
"number_observations_unique": 4685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "I/SigI",
"value": 9.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.230,2.060],
"number_observations": 35687,
"number_observations_unique": 4344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 13.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.440,2.230],
"number_observations": 33062,
"number_observations_unique": 4027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 16.270
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.730,2.440],
"number_observations": 29896,
"number_observations_unique": 3646,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "I/SigI",
"value": 20.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.140,2.730],
"number_observations": 26494,
"number_observations_unique": 3273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 30.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.850,3.140],
"number_observations": 21972,
"number_observations_unique": 2775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 42.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.420,3.850],
"number_observations": 16959,
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 51.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [45.019,5.420],
"number_observations": 9393,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}