Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "10522a14c3bc989986353fcca9fd7b0c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 80.77,
"b": 90.14,
"c": 73.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.16,2.80],
"number_observations": 77170,
"number_observations_unique": 6693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.87,2.80],
"number_observations": 6438,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.807
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.355
}
]
}
]
}