Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "98d85c12a7a9d21c336dc66bca6ad580",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 44.697,
"b": 53.628,
"c": 114.183,
"alpha": 90.000,
"beta": 101.126,
"gamma": 90.000
},
"wavelengths": [1.54100],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.01,2.2],
"number_observations_unique": 13558,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.1404
},
{
"type": "R(meas)",
"value": 0.1661
},
{
"type": "R(pim)",
"value": 0.08743
},
{
"type": "I/SigI",
"value": 10.53
},
{
"type": "Completeness",
"value": 99.39
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [2.279,2.2],
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.4566
},
{
"type": "R(meas)",
"value": 0.5359
},
{
"type": "R(pim)",
"value": 0.2766
},
{
"type": "I/SigI",
"value": 2.89
},
{
"type": "Completeness",
"value": 98.95
},
{
"type": "Redundancy",
"value": 3.4
},
{
"type": "CC(1/2)",
"value": 0.337
}
]
}
]
}