Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8884dc891de694a0bc4f0bb76cf5967c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.716,
"b": 78.114,
"c": 84.018,
"alpha": 90.0,
"beta": 104.2,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.7,2.5],
"number_observations_unique": 13040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 17.9
},
{
"type": "Completeness",
"value": 54.4
},
{
"type": "Redundancy",
"value": 3.9
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
},
"refln_shells": [
{
"resolution_limits": [2.7,2.5],
"number_observations_unique": 664,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.47
},
{
"type": "R(meas)",
"value": 1.66
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 13
},
{
"type": "CC(1/2)",
"value": 0.40
}
]
},
{
"resolution_limits": [40.7,8.34],
"number_observations_unique": 648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 40.9
},
{
"type": "Completeness",
"value": 95.7
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}