Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fc70e876bb3c21484c84dd28733af482",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.828,
"b": 53.227,
"c": 44.590,
"alpha": 90.000,
"beta": 102.439,
"gamma": 90.000
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.580,1.820],
"number_observations": 119963,
"number_observations_unique": 23453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.820],
"number_observations": 7311,
"number_observations_unique": 1401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.962
},
{
"type": "R(meas)",
"value": 1.069
},
{
"type": "R(pim)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [55.580,9.100],
"number_observations": 896,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}