Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bc9122f3a3e38778b1f3b72cdae9647a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.526,
"b": 80.832,
"c": 138.160,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.521,2.533],
"number_observations_unique": 21341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 12
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.577,2.533],
"number_observations_unique": 1021,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.019
},
{
"type": "R(meas)",
"value": 2.110
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
}
]
}