Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "373bcf2a25df7bde5e19d1f94c417b8d",
"space_group_name": "P 1",
"unit_cell": {
"a": 45.259,
"b": 49.359,
"c": 116.827,
"alpha": 88.41,
"beta": 83.15,
"gamma": 86.23
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.24,1.60],
"number_observations": 449107,
"number_observations_unique": 125292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 9.5
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.64,1.60],
"number_observations": 25173,
"number_observations_unique": 7690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.795
},
{
"type": "R(pim)",
"value": 0.435
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.652
}
]
}
]
}