Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f52d7c93166e5061092592dbcd7416b7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 196.319,
"b": 63.209,
"c": 105.006,
"alpha": 90.00,
"beta": 100.42,
"gamma": 90.00
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.97,2.250],
"number_observations_unique": 59376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 9.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.370,2.250],
"number_observations": 34147,
"number_observations_unique": 8293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.686
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "R(pim)",
"value": 0.377
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [29.950,7.120],
"number_observations": 7348,
"number_observations_unique": 1965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}