Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5540fd2cb5fbccc2155482e1d93e7f30",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.40,
"b": 93.98,
"c": 102.07,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.990,1.890],
"number_observations": 209398,
"number_observations_unique": 47639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.890],
"number_observations": 8767,
"number_observations_unique": 2657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.365
}
]
},
{
"resolution_limits": [46.990,8.990],
"number_observations": 1513,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}