Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "30c84e0044d501ca5e91e0daec6bbd35",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 206.875,
"b": 112.269,
"c": 187.907,
"alpha": 90.00,
"beta": 92.32,
"gamma": 90.00
},
"wavelengths": [0.97050],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [187.753,2.135],
"number_observations": 1262082,
"number_observations_unique": 180691,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 93.8
},
{
"type": "Redundancy",
"value": 7.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.281,2.135],
"number_observations": 62572,
"number_observations_unique": 9036,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.381
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.541
}
]
},
{
"resolution_limits": [187.753,6.409],
"number_observations": 61998,
"number_observations_unique": 9035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 20.4
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}