Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "571e63a48667ba84cd1f5be8db5bad53",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.593,
"b": 54.614,
"c": 114.321,
"alpha": 90.00,
"beta": 101.04,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.110,2.300],
"number_observations": 86865,
"number_observations_unique": 24770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 8800,
"number_observations_unique": 2421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.771
}
]
},
{
"resolution_limits": [49.110,8.910],
"number_observations": 1513,
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}