Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "41cedecf5985dd8e7cc0a970cd40015b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.74,
"b": 68.68,
"c": 332.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.550,1.820],
"number_observations": 233850,
"number_observations_unique": 63451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.820],
"number_observations": 20720,
"number_observations_unique": 5925,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(meas)",
"value": 0.790
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [47.550,7.050],
"number_observations": 4176,
"number_observations_unique": 1161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 54.300
},
{
"type": "Completeness",
"value": 90.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}