Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ab21fe02f90f0208405f1b60b661f0d",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 224.909,
"b": 238.594,
"c": 209.812,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [163.660,2.500],
"number_observations": 1251551,
"number_observations_unique": 192872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.845
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.500],
"number_observations": 41700,
"number_observations_unique": 9123,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.138
},
{
"type": "R(meas)",
"value": 3.538
},
{
"type": "R(pim)",
"value": 1.594
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.230
}
]
},
{
"resolution_limits": [163.660,13.690],
"number_observations": 7907,
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 23.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
}
]
}