Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c2676058d04e91f4d0b0b8cdccc04c3f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.406,
"b": 101.554,
"c": 70.013,
"alpha": 90.00,
"beta": 110.32,
"gamma": 90.00
},
"wavelengths": [0.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.170,1.550],
"number_observations": 777196,
"number_observations_unique": 110811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 38635,
"number_observations_unique": 5496,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.266
},
{
"type": "R(meas)",
"value": 1.367
},
{
"type": "R(pim)",
"value": 0.511
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.712
}
]
},
{
"resolution_limits": [46.170,8.490],
"number_observations": 4906,
"number_observations_unique": 711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}