Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "53c3bc783f1ea665ce499a3d0273372c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 35.714,
"b": 64.974,
"c": 73.494,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.68,2.30],
"number_observations": 48770,
"number_observations_unique": 8003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.38,2.30],
"number_observations": 4389,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.652
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
}
]
}