Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "efaadf8e885e62afdd3189ace4d50dab",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.52,
"b": 79.51,
"c": 89.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.150,1.290],
"number_observations": 704959,
"number_observations_unique": 112549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.290],
"number_observations": 42928,
"number_observations_unique": 8280,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.626
},
{
"type": "R(meas)",
"value": 1.811
},
{
"type": "R(pim)",
"value": 0.783
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.341
}
]
},
{
"resolution_limits": [49.150,5.770],
"number_observations": 8951,
"number_observations_unique": 1421,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 37.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}