Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4753f972c71cd83c7ba19946ca0a2084",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.707,
"b": 67.862,
"c": 138.400,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.410,1.910],
"number_observations": 341000,
"number_observations_unique": 50356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 22588,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.611
},
{
"type": "R(meas)",
"value": 3.913
},
{
"type": "R(pim)",
"value": 1.493
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.361
}
]
},
{
"resolution_limits": [138.410,8.950],
"number_observations": 3244,
"number_observations_unique": 586,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}