Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0e6b3f946bc6f16285d6589a086f6e6d",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 50.133,
"b": 50.133,
"c": 142.611,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.700],
"number_observations_unique": 5121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 8.960
},
{
"type": "Completeness",
"value": 94.490
},
{
"type": "Redundancy",
"value": 5.530
}
]
},
"refln_shells": [
{
"resolution_limits": [2.83,2.70],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 94.1
}
]
},
{
"resolution_limits": [2.98,2.83],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 3.5
}
]
},
{
"resolution_limits": [3.16,2.98],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 5.1
}
]
},
{
"resolution_limits": [3.40,3.16],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 6.6
}
]
},
{
"resolution_limits": [3.74,3.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.2
}
]
},
{
"resolution_limits": [4.28,3.74],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.7
}
]
},
{
"resolution_limits": [5.41,4.28],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 15.8
}
]
},
{
"resolution_limits": [50.00,5.41],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 17.0
}
]
}
]
}