Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1cda82bd07eac3665fb48833d906a5e",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 48.450,
"b": 56.350,
"c": 114.644,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.32,1.42],
"number_observations": 344567,
"number_observations_unique": 29862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.3
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.42],
"number_observations": 17036,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.872
},
{
"type": "R(meas)",
"value": 0.912
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Redundancy",
"value": 11.7
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
}
]
}