Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3eb7415a8d4f323bcc114777b1b8ebf2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.798,
"b": 119.066,
"c": 68.286,
"alpha": 90.00,
"beta": 90.22,
"gamma": 90.00
},
"wavelengths": [1.00000,3320.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.71,2.20],
"number_observations_unique": 49026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.28,2.20],
"number_observations_unique": 4880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.532
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "R(pim)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 96.4
},
{
"type": "Redundancy",
"value": 2.5
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
}
]
}