Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ab4077dd4ad00282d0e73aea703ed5d",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 58.563,
"b": 58.563,
"c": 151.496,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.56,1.97],
"number_observations_unique": 19537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.414
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 8.5
},
{
"type": "Completeness",
"value": 99.98
},
{
"type": "Redundancy",
"value": 38.7
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.00,1.97],
"number_observations_unique": 950,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.179
},
{
"type": "R(meas)",
"value": 2.323
},
{
"type": "R(pim)",
"value": 0.780
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 99.79
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
},
{
"resolution_limits": [58.56,5.35],
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 21.9
},
{
"type": "Completeness",
"value": 99.91
},
{
"type": "Redundancy",
"value": 49.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}