Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6cb9fdc1c783596defebe96c5a8d7dcf",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 208.219,
"b": 112.810,
"c": 188.749,
"alpha": 90.00,
"beta": 91.85,
"gamma": 90.00
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [104.055,1.769],
"number_observations": 1270263,
"number_observations_unique": 337751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.6
},
{
"type": "Completeness",
"value": 95.4
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.769],
"number_observations": 65920,
"number_observations_unique": 16889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.796
},
{
"type": "R(pim)",
"value": 0.467
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
},
{
"resolution_limits": [104.055,5.213],
"number_observations": 60130,
"number_observations_unique": 16887,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.2
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}