Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d4a41c3fb813d6b26de961cd2affb8aa",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 57.829,
"b": 57.829,
"c": 395.300,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.670,1.930],
"number_observations": 568740,
"number_observations_unique": 31230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 18.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.930],
"number_observations": 42240,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.834
},
{
"type": "R(meas)",
"value": 2.911
},
{
"type": "R(pim)",
"value": 0.659
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.300
},
{
"type": "CC(1/2)",
"value": 0.584
}
]
},
{
"resolution_limits": [197.670,8.630],
"number_observations": 7095,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 14.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}