Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e66091d57de397667b85db3cde40706b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.465,
"b": 87.655,
"c": 68.280,
"alpha": 90.000,
"beta": 110.223,
"gamma": 90.000
},
"wavelengths": [0.97623],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.400,1.980],
"number_observations": 88738,
"number_observations_unique": 45174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.030,1.980],
"number_observations_unique": 3142,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.267
},
{
"type": "R(meas)",
"value": 1.792
},
{
"type": "R(pim)",
"value": 1.267
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.230
}
]
},
{
"resolution_limits": [92.400,9.070],
"number_observations_unique": 494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.011
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}