Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "a10e8c1b37d9e7b195e08bd594c8cf78",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.524,
"b": 51.541,
"c": 79.488,
"alpha": 90.00,
"beta": 92.19,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.492,1.39],
"number_observations_unique": 71176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.9
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.42,1.39],
"number_observations": 19524,
"number_observations_unique": 2997,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.804
},
{
"type": "R(meas)",
"value": 1.955
},
{
"type": "R(pim)",
"value": 0.743
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
}
]
}