Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1074afc9a573162876dbbc8ae5322fb2",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 100.892,
"b": 124.539,
"c": 109.141,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.20,2.00],
"number_observations_unique": 44741,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.232
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 8.3
},
{
"type": "Completeness",
"value": 96
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations_unique": 2481,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.878
},
{
"type": "R(meas)",
"value": 2.043
},
{
"type": "R(pim)",
"value": 0.787
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 73.7
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
}
]
}