Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26dd799ab1891613dc691483cbfedcb8",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.465,
"b": 51.387,
"c": 79.052,
"alpha": 90.00,
"beta": 92.34,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.43,1.26],
"number_observations": 627512,
"number_observations_unique": 94087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.9
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.29,1.26],
"number_observations": 23852,
"number_observations_unique": 3840,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.046
},
{
"type": "R(meas)",
"value": 1.141
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Redundancy",
"value": 6.2
},
{
"type": "CC(1/2)",
"value": 0.700
}
]
}
]
}