Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e3861dba4c271b4a1481c4e47721caa7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 129.34,
"b": 77.48,
"c": 37.03,
"alpha": 90.0,
"beta": 104.4,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.900,1.500],
"number_observations": 184856,
"number_observations_unique": 56456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 9177,
"number_observations_unique": 2762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.813
},
{
"type": "R(meas)",
"value": 0.965
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.609
}
]
},
{
"resolution_limits": [65.900,8.220],
"number_observations": 1400,
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}