Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0e0095a83d8466cef49814143ec22b8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 209.159,
"b": 113.004,
"c": 189.435,
"alpha": 90.00,
"beta": 91.14,
"gamma": 90.00
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.559,1.855],
"number_observations": 1039863,
"number_observations_unique": 282026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 9.8
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.031,1.855],
"number_observations": 52003,
"number_observations_unique": 14102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.827
},
{
"type": "R(pim)",
"value": 0.498
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.624
}
]
},
{
"resolution_limits": [104.559,5.558],
"number_observations": 50293,
"number_observations_unique": 14100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.3
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}