Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2ffc2c770a183daeec197a0fd6a2b899",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.218,
"b": 43.177,
"c": 60.864,
"alpha": 90.00,
"beta": 114.27,
"gamma": 90.00
},
"wavelengths": [1.11585],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.98,1.68],
"number_observations": 95881,
"number_observations_unique": 29306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.71,1.68],
"number_observations": 4591,
"number_observations_unique": 1438,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.452
},
{
"type": "R(meas)",
"value": 1.739
},
{
"type": "R(pim)",
"value": 0.945
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.330
}
]
}
]
}