Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d414c61303ca13f069d59950f0c0431d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 87.28,
"b": 87.28,
"c": 94.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.790,2.300],
"number_observations": 151502,
"number_observations_unique": 18726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 7560,
"number_observations_unique": 1670,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.106
},
{
"type": "R(pim)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 91.300
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [37.790,8.910],
"number_observations": 3479,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}