Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d716a9b595c5921ea3a32a01e5428b33",
"space_group_name": "I 4",
"unit_cell": {
"a": 133.68,
"b": 133.68,
"c": 40.17,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97633],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.470,1.630],
"number_observations": 361801,
"number_observations_unique": 44735,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 14.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.630],
"number_observations": 15611,
"number_observations_unique": 2199,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.004
},
{
"type": "R(meas)",
"value": 1.083
},
{
"type": "R(pim)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [38.470,8.930],
"number_observations": 2214,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 41.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}