Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1503e16081e6b76206a496a3566ef8a8",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 121.41,
"b": 121.41,
"c": 33.89,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97943],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.850,1.700],
"number_observations": 359919,
"number_observations_unique": 28584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.700],
"number_observations": 26001,
"number_observations_unique": 2056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [85.850,7.600],
"number_observations": 3823,
"number_observations_unique": 398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 67.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}