Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "038876c9b6d9ece7e1d4f019b4050774",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 75.03,
"b": 109.32,
"c": 118.64,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.320,1.900],
"number_observations": 557880,
"number_observations_unique": 77575,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 32293,
"number_observations_unique": 4539,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.556
},
{
"type": "R(pim)",
"value": 0.625
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.531
}
]
},
{
"resolution_limits": [33.320,9.500],
"number_observations": 4099,
"number_observations_unique": 704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}