Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d31d47b14d6953d5d45473da69b5a69d",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 84.88,
"b": 134.00,
"c": 168.37,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.530,1.620],
"number_observations": 1205841,
"number_observations_unique": 236378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.650,1.620],
"number_observations": 57956,
"number_observations_unique": 11189,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.600
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.446
}
]
}
]
}