Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e0179c41d0c963e4da467c2f08b8d349",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.123,
"b": 57.114,
"c": 115.210,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [57.120,1.180],
"number_observations": 596075,
"number_observations_unique": 110721,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.180],
"number_observations": 18296,
"number_observations_unique": 6392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.900
},
{
"type": "R(meas)",
"value": 1.098
},
{
"type": "R(pim)",
"value": 0.609
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 76.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.589
}
]
},
{
"resolution_limits": [57.120,5.280],
"number_observations": 8503,
"number_observations_unique": 1444,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}