Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "56accf2154a30cc8c9b4c9b2f31aebd0",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 96.619,
"b": 59.575,
"c": 162.867,
"alpha": 90.00,
"beta": 93.97,
"gamma": 90.00
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.68,2.79],
"number_observations_unique": 22933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.94,2.79],
"number_observations_unique": 3361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.571
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 4.6
},
{
"type": "CC(1/2)",
"value": 0.751
}
]
}
]
}