Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5d85c396057a7bf6c9b3b666f44e18b9",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 43.19,
"b": 92.98,
"c": 153.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.980,2.660],
"number_observations": 142367,
"number_observations_unique": 18640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.660],
"number_observations": 19357,
"number_observations_unique": 2664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.620
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [92.980,8.400],
"number_observations": 4359,
"number_observations_unique": 675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}