Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b205697a3796a72d97d82f2da8af24b",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.345,
"b": 85.710,
"c": 130.648,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.400],
"number_observations_unique": 18352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.49,2.40],
"number_observations_unique": 1770,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.982
},
{
"type": "Completeness",
"value": 98.00
},
{
"type": "Redundancy",
"value": 5.60
}
]
},
{
"resolution_limits": [2.59,2.49],
"number_observations_unique": 1834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.641
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.40
}
]
},
{
"resolution_limits": [2.70,2.59],
"number_observations_unique": 1823,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.80
}
]
},
{
"resolution_limits": [2.85,2.70],
"number_observations_unique": 1818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.280
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.80
}
]
},
{
"resolution_limits": [3.02,2.85],
"number_observations_unique": 1801,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.80
}
]
},
{
"resolution_limits": [3.26,3.02],
"number_observations_unique": 1841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.80
}
]
},
{
"resolution_limits": [3.58,3.26],
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [4.10,3.58],
"number_observations_unique": 1858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.70
}
]
},
{
"resolution_limits": [5.17,4.10],
"number_observations_unique": 1862,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [50.00,5.17],
"number_observations_unique": 1907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 96.90
},
{
"type": "Redundancy",
"value": 7.00
}
]
}
]
}