Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ca36dc67a7d6b2e28c70eb68f70858d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 53.743,
"b": 72.301,
"c": 97.136,
"alpha": 90.00,
"beta": 99.75,
"gamma": 90.00
},
"wavelengths": [0.98400,0.97915,0.95369,0.97932],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40,1.99],
"number_observations_unique": 47373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 11.9
},
{
"type": "Completeness",
"value": 94.1
},
{
"type": "Redundancy",
"value": 5.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.04,1.99],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.794
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 78.5
},
{
"type": "Redundancy",
"value": 4.0
},
{
"type": "CC(1/2)",
"value": 0.752
}
]
}
]
}