Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6abc07bcd1a09036f7719b9342f39a0d",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 58.017,
"b": 58.017,
"c": 395.554,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [197.850,1.410],
"number_observations": 1215068,
"number_observations_unique": 78228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.410],
"number_observations": 54207,
"number_observations_unique": 5638,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.992
},
{
"type": "R(meas)",
"value": 2.104
},
{
"type": "R(pim)",
"value": 0.670
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [197.850,6.310],
"number_observations": 16294,
"number_observations_unique": 1138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 14.300
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
}
]
}