Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e44c8715d8aa892c16a70032eebee6de",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.540,
"b": 223.485,
"c": 191.472,
"alpha": 90.00,
"beta": 98.38,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.44,3.48],
"number_observations": 594677,
"number_observations_unique": 85915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "R(pim)",
"value": 0.226
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
"refln_shells": [
{
"resolution_limits": [3.54,3.48],
"number_observations": 30052,
"number_observations_unique": 4596,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.710
},
{
"type": "R(meas)",
"value": 4.036
},
{
"type": "R(pim)",
"value": 1.573
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.199
}
]
}
]
}