Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a00d45a347b1ec757eb8f473f7b2cd25",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.548,
"b": 74.991,
"c": 95.078,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.50,1.81],
"number_observations": 602711,
"number_observations_unique": 44725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 13.8
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.85,1.81],
"number_observations": 36000,
"number_observations_unique": 2599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "Redundancy",
"value": 13.9
},
{
"type": "CC(1/2)",
"value": 0.907
}
]
}
]
}