Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2b9ef3b1cd93bf14db30604e131b257",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 64.698,
"b": 68.272,
"c": 334.537,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [167.27,2.180],
"number_observations": 184707,
"number_observations_unique": 36255,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.180],
"number_observations": 21529,
"number_observations_unique": 4685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(pim)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 83.300
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [334.540,6.910],
"number_observations": 7526,
"number_observations_unique": 1374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
}
]
}