Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b91f60479930b628c28ac01791782240",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.843,
"b": 85.835,
"c": 127.344,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.280,1.600],
"number_observations": 433627,
"number_observations_unique": 66421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.600],
"number_observations": 29825,
"number_observations_unique": 4636,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.887
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.733
}
]
},
{
"resolution_limits": [29.280,7.170],
"number_observations": 5415,
"number_observations_unique": 860,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 60.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}