Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5962bcbb6df26a8b40cf5cfa6a50d3ab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 151.559,
"b": 122.275,
"c": 65.473,
"alpha": 90.00,
"beta": 114.56,
"gamma": 90.00
},
"wavelengths": [0.97242],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [91.470,1.950],
"number_observations": 453673,
"number_observations_unique": 78548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 14.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,1.950],
"number_observations_unique": 11499,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.099
},
{
"type": "R(meas)",
"value": 1.205
},
{
"type": "R(pim)",
"value": 0.488
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [91.470,6.150],
"number_observations_unique": 2527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}