Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd56eedd1141b757560e82304eb59ef4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 95.416,
"b": 55.002,
"c": 57.906,
"alpha": 90.00,
"beta": 123.38,
"gamma": 90.00
},
"wavelengths": [1.11110],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.35,2.5],
"number_observations_unique": 8627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 98.18
},
{
"type": "Redundancy",
"value": 6.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 821,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.228
},
{
"type": "R(meas)",
"value": 4.600
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Completeness",
"value": 97.16
},
{
"type": "CC(1/2)",
"value": 0.187
}
]
}
]
}