Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8cf77747167e8b6fc7d5ea3540ff0f2f",
"space_group_name": "P 31 1 2",
"unit_cell": {
"a": 89.85,
"b": 89.85,
"c": 86.22,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97853],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.920,2.800],
"number_observations_unique": 18615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 14262,
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.572
},
{
"type": "R(meas)",
"value": 2.713
},
{
"type": "R(pim)",
"value": 0.859
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.354
}
]
},
{
"resolution_limits": [44.920,8.850],
"number_observations": 2908,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}