Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4e8afe2fef43976361a2090d3b124b5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.33,
"b": 57.33,
"c": 115.34,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.330,1.530],
"number_observations": 325054,
"number_observations_unique": 52297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.530],
"number_observations": 26077,
"number_observations_unique": 3860,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.383
},
{
"type": "R(meas)",
"value": 1.497
},
{
"type": "R(pim)",
"value": 0.569
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.554
}
]
},
{
"resolution_limits": [57.330,6.840],
"number_observations": 4283,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 44.900
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}