Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "04aa225d21f9ce2c762372df8b0c3aab",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.160,
"b": 78.383,
"c": 79.453,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.800,1.445],
"number_observations_unique": 77717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 23.3
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.470,1.445],
"number_observations_unique": 3260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 83.7
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
}
]
}