Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5eadadf62d4c670826ee79dd6b70ce94",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.033,
"b": 60.377,
"c": 65.097,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.650,1.680],
"number_observations": 140738,
"number_observations_unique": 21928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.680],
"number_observations": 8506,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.778
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "R(pim)",
"value": 0.362
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.793
}
]
},
{
"resolution_limits": [28.650,7.510],
"number_observations": 1644,
"number_observations_unique": 293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 59.200
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}