Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c60e92ea5ab1dd4f262c656523ae8863",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.959,
"b": 27.522,
"c": 56.383,
"alpha": 90.00,
"beta": 99.89,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.790,1.190],
"number_observations": 174325,
"number_observations_unique": 32989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 18.900
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.210,1.190],
"number_observations": 558,
"number_observations_unique": 405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "R(meas)",
"value": 0.566
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 20.900
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [27.790,6.520],
"number_observations": 1585,
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 70.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}