Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3d2f8ecd9f42aa06cd6a9a26f025ecbb",
"space_group_name": "P 43",
"unit_cell": {
"a": 89.328,
"b": 89.328,
"c": 40.349,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000,2.00000,4.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.39,1.6],
"number_observations_unique": 42240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 15.6
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 5.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.63,1.6],
"number_observations_unique": 1935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 4.6
},
{
"type": "Completeness",
"value": 93.1
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [1.96,1.89],
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2524
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 87.39
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
}
]
}