Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "53b1d608299b22924cd5fc6ceb5616a4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 59.545,
"b": 64.394,
"c": 44.597,
"alpha": 90.000,
"beta": 108.802,
"gamma": 90.000
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,1.77],
"number_observations_unique": 15495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.7
},
{
"type": "Completeness",
"value": 97
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.83,1.77],
"number_observations_unique": 1467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "R(meas)",
"value": 0.423
},
{
"type": "R(pim)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 84.8
},
{
"type": "Redundancy",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
}
]
}