Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "597ca0e4072d69b2545cd78576c46d5a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 179.407,
"b": 125.077,
"c": 180.914,
"alpha": 90.000,
"beta": 93.826,
"gamma": 90.000
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.92,4.20],
"number_observations_unique": 58670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.24
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [4.32,4.20],
"number_observations_unique": 4576,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.07
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
}
]
}