Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "185032f3fb310e6f0cf47afa13738fb1",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 59.09,
"b": 59.09,
"c": 212.84,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.950,1.500],
"number_observations": 669620,
"number_observations_unique": 70428,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.500],
"number_observations": 42052,
"number_observations_unique": 5105,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.731
},
{
"type": "R(meas)",
"value": 1.847
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.528
}
]
},
{
"resolution_limits": [70.950,6.710],
"number_observations": 8031,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 40.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}