Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "773a43aaff05166b04a33b0d2ddfc01e",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 82.81,
"b": 82.81,
"c": 134.59,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.570,2.370],
"number_observations": 444228,
"number_observations_unique": 22297,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.114
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.370],
"number_observations": 33872,
"number_observations_unique": 1628,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.189
},
{
"type": "R(meas)",
"value": 2.243
},
{
"type": "R(pim)",
"value": 0.490
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [39.570,10.600],
"number_observations": 3940,
"number_observations_unique": 289,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 55.600
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 13.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}