Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d8aaf028eb5940b7d1de8ae7df1cfda1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 62.704,
"b": 89.303,
"c": 60.701,
"alpha": 90.00,
"beta": 96.52,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.31,1.560],
"number_observations_unique": 47120,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.560],
"number_observations_unique": 3473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.991
},
{
"type": "R(pim)",
"value": 0.604
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.454
}
]
},
{
"resolution_limits": [60.31,6.980],
"number_observations_unique": 553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}