Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "89e73052141cdc8549531c53a250d0ab",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 136.848,
"b": 65.050,
"c": 84.029,
"alpha": 90.00,
"beta": 92.74,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.970,2.160],
"number_observations": 130557,
"number_observations_unique": 39681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.160],
"number_observations": 9773,
"number_observations_unique": 2923,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.076
},
{
"type": "R(meas)",
"value": 1.284
},
{
"type": "R(pim)",
"value": 0.694
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.504
}
]
},
{
"resolution_limits": [83.970,9.660],
"number_observations": 1616,
"number_observations_unique": 482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}