Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b06f668fc3373d37685d5f1e4af2a89e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.378,
"b": 96.743,
"c": 58.001,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.000,1.700],
"number_observations": 169634,
"number_observations_unique": 25885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 8194,
"number_observations_unique": 1378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.969
},
{
"type": "R(meas)",
"value": 1.059
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.810
}
]
},
{
"resolution_limits": [29.000,8.660],
"number_observations": 1417,
"number_observations_unique": 230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 60.600
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}