Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad106eeee4b6acc3a7a4bc24807e45e6",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 76.793,
"b": 125.041,
"c": 118.420,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [118.420,1.745],
"number_observations_unique": 58117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 18.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.750],
"number_observations": 65729,
"number_observations_unique": 8357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.880
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.331
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.900
}
]
},
{
"resolution_limits": [118.420,5.520],
"number_observations": 13730,
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}