Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8724de35e3775fb7575a934a9afd3d34",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.587,
"b": 101.864,
"c": 91.018,
"alpha": 90.00,
"beta": 108.86,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.96,2.85],
"number_observations_unique": 26758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 97.5
},
{
"type": "Redundancy",
"value": 4.1
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.85],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.031
},
{
"type": "R(meas)",
"value": 1.165
},
{
"type": "R(pim)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.4
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}