Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3efa55b6029f2f254e8fe4ab0ed3b583",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 65.432,
"b": 119.340,
"c": 66.302,
"alpha": 90.00,
"beta": 93.39,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.09,2.050],
"number_observations": 79897,
"number_observations_unique": 31152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 4533,
"number_observations_unique": 2171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.740
}
]
},
{
"resolution_limits": [37.370,8.940],
"number_observations": 924,
"number_observations_unique": 366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 77.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}