Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "caab333fb679049755c860133bb3c96f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.025,
"b": 41.066,
"c": 71.906,
"alpha": 90.00,
"beta": 104.22,
"gamma": 90.00
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.70,1.12],
"number_observations": 577680,
"number_observations_unique": 87594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 96.0
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.12],
"number_observations": 72660,
"number_observations_unique": 12088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.372
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 3.8
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
}
]
}