Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5561babf68ba98c46e95123f80a53cef",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.089,
"b": 167.210,
"c": 90.260,
"alpha": 90.00,
"beta": 99.16,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.250,2.800],
"number_observations_unique": 31823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 15002,
"number_observations_unique": 4631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.200
}
]
},
{
"resolution_limits": [47.250,8.850],
"number_observations": 3698,
"number_observations_unique": 1041,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.600
}
]
}
]
}