Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "b3c6ba3215c7d895ceb6d04bfc89c82e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.489,
"b": 83.744,
"c": 58.895,
"alpha": 90.00,
"beta": 108.31,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.910,1.340],
"number_observations": 433991,
"number_observations_unique": 82451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 72.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.360,1.340],
"number_observations": 279,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.352
},
{
"type": "R(meas)",
"value": 0.497
},
{
"type": "R(pim)",
"value": 0.352
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 4.900
},
{
"type": "Redundancy",
"value": 1.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [55.910,7.340],
"number_observations": 4761,
"number_observations_unique": 737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 75.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.500
}
]
}
]
}