Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dcb805c8f756a9f72bceac88d110cee9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 123.757,
"b": 61.226,
"c": 79.839,
"alpha": 90.00,
"beta": 116.89,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.17,2.43],
"number_observations_unique": 20219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.52,2.43],
"number_observations_unique": 2112,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.198
},
{
"type": "R(meas)",
"value": 1.423
},
{
"type": "R(pim)",
"value": 0.76
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
}
]
}