Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bf33c28dfc2e1823f72904980ebb26fc",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 98.135,
"b": 162.670,
"c": 114.927,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.930,2.400],
"number_observations": 478202,
"number_observations_unique": 36272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 51648,
"number_observations_unique": 3759,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.387
},
{
"type": "R(meas)",
"value": 1.440
},
{
"type": "R(pim)",
"value": 0.386
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [46.930,8.980],
"number_observations": 8691,
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 38.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}