Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c0c0f7c3a53e56a3c7a095ecff4d548",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 64.630,
"b": 118.264,
"c": 66.109,
"alpha": 90.00,
"beta": 92.52,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.850,2.500],
"number_observations": 39544,
"number_observations_unique": 16909,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 14.400
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 4430,
"number_observations_unique": 1931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.435
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [33.850,9.010],
"number_observations": 798,
"number_observations_unique": 338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 68.800
},
{
"type": "Completeness",
"value": 89.300
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}