Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "681aebdcea290338976e51bda3d32a6a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.836,
"b": 150.392,
"c": 241.432,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [150.440,2.000],
"number_observations_unique": 114393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.010],
"number_observations": 100172,
"number_observations_unique": 10100,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.739
},
{
"type": "R(meas)",
"value": 1.831
},
{
"type": "R(pim)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 55.200
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [150.440,6.350],
"number_observations": 43960,
"number_observations_unique": 4473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 45.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}