Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d684861a001421efc31c5cae5bc742e",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 93.275,
"b": 138.815,
"c": 75.146,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.550],
"number_observations_unique": 66372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations_unique": 4714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.546
},
{
"type": "Completeness",
"value": 67.100
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations_unique": 5415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "Completeness",
"value": 77.600
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations_unique": 6496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations_unique": 7013,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations_unique": 7031,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations_unique": 7047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.320,2.100],
"number_observations_unique": 7061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [2.650,2.320],
"number_observations_unique": 7086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [3.340,2.650],
"number_observations_unique": 7152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.500
}
]
},
{
"resolution_limits": [50.000,3.340],
"number_observations_unique": 7357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.300
}
]
}
]
}