Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4570a11c96c3f6c32008204cab5a87de",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.65,
"b": 45.48,
"c": 83.31,
"alpha": 90.00,
"beta": 101.94,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.000,1.630],
"number_observations": 199119,
"number_observations_unique": 57730,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.630],
"number_observations": 14973,
"number_observations_unique": 4253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.623
},
{
"type": "R(pim)",
"value": 0.328
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [39.000,7.290],
"number_observations": 2412,
"number_observations_unique": 701,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 50.300
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}