Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b86ced2ab6610fd573fec6c5b2f9ea1f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.008,
"b": 63.267,
"c": 76.523,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.760,1.400],
"number_observations": 531019,
"number_observations_unique": 41566,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.400
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 15118,
"number_observations_unique": 1840,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.035
},
{
"type": "R(pim)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.741
}
]
},
{
"resolution_limits": [48.760,7.660],
"number_observations": 3534,
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 61.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}