Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "008ada28cc0bf1e41f96dba3419e628e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.000,
"b": 98.274,
"c": 58.173,
"alpha": 90.0,
"beta": 107.5,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.140,2.200],
"number_observations": 103525,
"number_observations_unique": 29889,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 8201,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [49.140,9.070],
"number_observations": 1589,
"number_observations_unique": 451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}