Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7a607bc256820888a231b988d50ae888",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.259,
"b": 97.950,
"c": 89.930,
"alpha": 90.00,
"beta": 94.56,
"gamma": 90.00
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.950,2.900],
"number_observations": 180788,
"number_observations_unique": 26054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "R(pim)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 29940,
"number_observations_unique": 4198,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.237
},
{
"type": "R(pim)",
"value": 0.892
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.322
}
]
},
{
"resolution_limits": [97.950,8.700],
"number_observations": 7286,
"number_observations_unique": 1025,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}