Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "96f5f7b6036e4ea40bb696d8a35abd1e",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 89.317,
"b": 47.171,
"c": 105.537,
"alpha": 90.00,
"beta": 105.66,
"gamma": 90.00
},
"wavelengths": [0.97947],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.33,1.7],
"number_observations_unique": 46549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.06
},
{
"type": "R(meas)",
"value": 0.07
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.7],
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.498
},
{
"type": "R(meas)",
"value": 0.586
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 2.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
}
]
}