Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "963fb370a1cf4b7199053815edb2f98d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 98.625,
"b": 138.657,
"c": 165.386,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95369],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.811,2.250],
"number_observations": 4650184,
"number_observations_unique": 107885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 43.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations": 197267,
"number_observations_unique": 5270,
"quality_factors": [
{
"type": "R(merge)",
"value": 6.410
},
{
"type": "R(pim)",
"value": 1.054
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 37.400
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [19.810,12.320],
"number_observations": 21820,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 83.800
},
{
"type": "Completeness",
"value": 76.800
},
{
"type": "Redundancy",
"value": 38.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}