Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0431c2b5c3d66e1716421587279ed98",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 53.550,
"b": 109.840,
"c": 38.951,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.920,1.130],
"number_observations": 540189,
"number_observations_unique": 86013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.130],
"number_observations": 24570,
"number_observations_unique": 4192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.675
},
{
"type": "R(meas)",
"value": 0.741
},
{
"type": "R(pim)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [54.920,6.190],
"number_observations": 3821,
"number_observations_unique": 634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}