Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e05df19ee05f414ad38f85a7d3d4e77",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 98.341,
"b": 52.365,
"c": 58.463,
"alpha": 90.00,
"beta": 118.03,
"gamma": 90.00
},
"wavelengths": [0.98000,2.70000,3.50000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.674,1.15],
"number_observations_unique": 95584,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 23.49
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 4.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.18,1.15],
"number_observations_unique": 7008,
"quality_factors": [
{
"type": "R(meas)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.47
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [1.79,1.70],
"number_observations_unique": 3300,
"quality_factors": [
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
}
]
}