Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "85343292e77a70dc1fbb80634b14b3a9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 80.678,
"b": 88.759,
"c": 128.469,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97926],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.760,1.570],
"number_observations": 786682,
"number_observations_unique": 128851,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 40011,
"number_observations_unique": 6339,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.601
}
]
},
{
"resolution_limits": [88.760,8.600],
"number_observations": 5660,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 19.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
}
]
}