Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8fe5c42e2af6ae423b40404b6e504fd",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.55,
"b": 105.59,
"c": 107.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.810,1.600],
"number_observations": 695861,
"number_observations_unique": 101131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 22299,
"number_observations_unique": 3832,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(pim)",
"value": 0.343
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 76.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.694
}
]
},
{
"resolution_limits": [33.810,8.780],
"number_observations": 4093,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}