Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d906ef5d41d6afabd9d3e223707e8d21",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 107.91,
"b": 107.91,
"c": 303.94,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.94645],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.04,2.400],
"number_observations_unique": 41266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 28.430
},
{
"type": "Completeness",
"value": 98.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.45,2.40],
"number_observations": 18606,
"number_observations_unique": 2396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 4.9
},
{
"type": "Completeness",
"value": 98.00
}
]
},
{
"resolution_limits": [2.62,2.45],
"number_observations": 84977,
"number_observations_unique": 6890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.408
},
{
"type": "I/SigI",
"value": 7.1
},
{
"type": "Completeness",
"value": 98.10
}
]
},
{
"resolution_limits": [2.80,2.62],
"number_observations": 84919,
"number_observations_unique": 5610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "I/SigI",
"value": 11.1
},
{
"type": "Completeness",
"value": 98.30
}
]
},
{
"resolution_limits": [3.00,2.80],
"number_observations": 72302,
"number_observations_unique": 4802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 15.4
},
{
"type": "Completeness",
"value": 98.40
}
]
},
{
"resolution_limits": [3.40,3.00],
"number_observations": 98300,
"number_observations_unique": 6556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 25.4
},
{
"type": "Completeness",
"value": 98.50
}
]
},
{
"resolution_limits": [3.90,3.40],
"number_observations": 72951,
"number_observations_unique": 4914,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 41.9
},
{
"type": "Completeness",
"value": 98.60
}
]
},
{
"resolution_limits": [4.80,3.90],
"number_observations": 95861,
"number_observations_unique": 4539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 57.7
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [37.04,4.80],
"number_observations": 74295,
"number_observations_unique": 3422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 60.9
},
{
"type": "Completeness",
"value": 98.90
}
]
}
]
}