Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a2490e5b940f26ee405edefc5bfba96e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 209.686,
"b": 113.230,
"c": 189.296,
"alpha": 90.00,
"beta": 91.71,
"gamma": 90.00
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [189.212,1.655],
"number_observations": 1984841,
"number_observations_unique": 400423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 95.6
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.808,1.655],
"number_observations": 118508,
"number_observations_unique": 20019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.970
},
{
"type": "R(pim)",
"value": 0.433
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [189.212,4.945],
"number_observations": 93236,
"number_observations_unique": 20021,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Redundancy",
"value": 4.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}