Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c98fec8a052b73f097f363c4374b648",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.329,
"b": 116.206,
"c": 83.285,
"alpha": 90.00,
"beta": 96.32,
"gamma": 90.00
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,1.699],
"number_observations_unique": 166579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 16.50
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.699],
"number_observations_unique": 8243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.377
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 2.087
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
}
]
}