Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b94ee58ec5f2c2e8e4f18cdb3fef9fdf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.582,
"b": 64.368,
"c": 48.037,
"alpha": 90.00,
"beta": 110.85,
"gamma": 90.00
},
"wavelengths": [0.91590],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.3650,1.4990],
"number_observations_unique": 41940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.500],
"number_observations": 36692,
"number_observations_unique": 6306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.376
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [39.360,4.740],
"number_observations": 7473,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}