Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e6f0096fbf6806d8e764028c2785c6b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.006,
"b": 98.647,
"c": 67.525,
"alpha": 90.00,
"beta": 104.42,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.51,1.77],
"number_observations_unique": 39350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 12.4
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.0,1.77],
"number_observations_unique": 1968,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.013
},
{
"type": "R(pim)",
"value": 0.404
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 64.8
},
{
"type": "Redundancy",
"value": 7.2
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
}
]
}