Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2790ee8b45c7245edf01e2ad6a6ca9d9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.734,
"b": 68.096,
"c": 138.516,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.220,1.820],
"number_observations": 395280,
"number_observations_unique": 58292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 23551,
"number_observations_unique": 3383,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.247
},
{
"type": "R(meas)",
"value": 3.507
},
{
"type": "R(pim)",
"value": 1.314
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.394
}
]
},
{
"resolution_limits": [69.220,9.100],
"number_observations": 3111,
"number_observations_unique": 564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 52.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
}
]
}