Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "109d44f0ab02355a836a4861c868c6e3",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 177.563,
"b": 177.563,
"c": 68.574,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95374],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.304,3.700],
"number_observations_unique": 12240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.358
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [4.050,3.700],
"number_observations": 37093,
"number_observations_unique": 2874,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.307
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "R(pim)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.764
}
]
},
{
"resolution_limits": [46.300,9.060],
"number_observations": 10988,
"number_observations_unique": 928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 27.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}