Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e1a24670029c59c6570b23aa7275746e",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 56.89,
"b": 56.89,
"c": 80.62,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97736],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.620,1.820],
"number_observations": 101099,
"number_observations_unique": 14087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 6154,
"number_observations_unique": 820,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [80.620,9.090],
"number_observations": 936,
"number_observations_unique": 145,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}