Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a74ecae572a121c03c8e1b992f90e9ee",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 115.47,
"b": 129.69,
"c": 164.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.04300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.33,2.8],
"number_observations_unique": 48865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 12.47
}
]
},
"refln_shells": [
{
"resolution_limits": [3.04,2.8],
"number_observations_unique": 380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.301
},
{
"type": "I/SigI",
"value": 5.4
}
]
},
{
"resolution_limits": [3.78,3.04],
"number_observations_unique": 3057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 3.88
}
]
},
{
"resolution_limits": [5.12,3.78],
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 9.90
}
]
},
{
"resolution_limits": [6.27,5.12],
"number_observations_unique": 2431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 19.90
}
]
},
{
"resolution_limits": [8.87,6.27],
"number_observations_unique": 1990,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04
},
{
"type": "I/SigI",
"value": 24.52
}
]
},
{
"resolution_limits": [12.5,8.87],
"number_observations_unique": 1315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 37.32
}
]
}
]
}