Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5bbcd2506aea8b1e5d6f192a441f5773",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.52,
"b": 67.96,
"c": 40.34,
"alpha": 90.00,
"beta": 93.78,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.63,1.26],
"number_observations_unique": 56182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 97.9
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.29,1.26],
"number_observations_unique": 3321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.540
},
{
"type": "R(meas)",
"value": 0.610
},
{
"type": "R(pim)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 79.2
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.850
}
]
}
]
}