Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e4cd44ba48a47b19ada5167eef37b0f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 43.778,
"b": 77.076,
"c": 92.653,
"alpha": 90.00,
"beta": 98.69,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.80,2.56],
"number_observations_unique": 9904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.0677
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.65,2.56],
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.533
},
{
"type": "R(meas)",
"value": 0.592
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}