Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4b8ea27b81ff4c5332862f6d465d3823",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 30.278,
"b": 57.104,
"c": 74.723,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 19340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 1859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.508
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 12.200
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 1892,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 1906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.800
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 1933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.900
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 1961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.300
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.900
}
]
}
]
}