Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9e436cce068add3a0ebdffd7de898db",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.575,
"b": 60.613,
"c": 32.350,
"alpha": 90.00,
"beta": 92.95,
"gamma": 90.00
},
"wavelengths": [0.94055],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.24,1.59],
"number_observations": 127684,
"number_observations_unique": 18831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.68,1.59],
"number_observations": 17805,
"number_observations_unique": 2747,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.202
},
{
"type": "R(meas)",
"value": 2.392
},
{
"type": "R(pim)",
"value": 0.926
},
{
"type": "I/SigI",
"value": 0.8
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.445
}
]
}
]
}