Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd5095b70c4877ec2dda73ca303cea77",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.340,
"b": 72.637,
"c": 82.940,
"alpha": 90.000,
"beta": 102.098,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.393,1.148],
"number_observations_unique": 165597,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 18.5
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 1.00
}
]
},
"refln_shells": [
{
"resolution_limits": [1.182,1.148],
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.567
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 2.8
},
{
"type": "CC(1/2)",
"value": 0.824
}
]
}
]
}