Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a3a213c91640e15c44ff83feb1a18034",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 39.38,
"b": 67.99,
"c": 40.35,
"alpha": 90.00,
"beta": 93.67,
"gamma": 90.00
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.27,1.20],
"number_observations_unique": 65566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.23,1.20],
"number_observations_unique": 4547,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.533
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 3.2
},
{
"type": "Completeness",
"value": 92.8
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
}
]
}