Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1e4ad735c38004ce20c03c12e494833a",
"space_group_name": "P 43 3 2",
"unit_cell": {
"a": 138.971,
"b": 138.971,
"c": 138.971,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.970,1.599],
"number_observations_unique": 60941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 77.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations_unique": 2948,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.504
},
{
"type": "R(meas)",
"value": 4.538
},
{
"type": "R(pim)",
"value": 0.547
},
{
"type": "I/SigI",
"value": 1.30
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 67.400
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [138.970,8.760],
"number_observations_unique": 481,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.005
},
{
"type": "I/SigI",
"value": 76.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 63.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}