Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b9ccf6f006419b464d61fca014fd4bb0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.78,
"b": 57.17,
"c": 115.09,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.860,1.470],
"number_observations": 382204,
"number_observations_unique": 58993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.470],
"number_observations": 25936,
"number_observations_unique": 4311,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.493
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.660
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.540
}
]
},
{
"resolution_limits": [31.860,6.570],
"number_observations": 4576,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 46.500
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}