Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "627c82dfb3c449b1037f0c58725ae14a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 85.749,
"b": 72.750,
"c": 52.341,
"alpha": 90.00,
"beta": 100.77,
"gamma": 90.00
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.82,2.00],
"number_observations": 141122,
"number_observations_unique": 21415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.0
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.05,2.00],
"number_observations": 10310,
"number_observations_unique": 1528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
}
]
}