Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a469034e018c33507a1cc7bc4d17b5df",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.407,
"b": 48.859,
"c": 101.704,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.22,1.90],
"number_observations_unique": 18723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.4
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.94,1.90],
"number_observations_unique": 1129,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.901
},
{
"type": "R(meas)",
"value": 1.003
},
{
"type": "R(pim)",
"value": 0.432
},
{
"type": "I/SigI",
"value": 1.8
},
{
"type": "Completeness",
"value": 95.2
},
{
"type": "CC(1/2)",
"value": 0.556
}
]
}
]
}