Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "347b3596daee1c6311c0226863c9685a",
"space_group_name": "P 41",
"unit_cell": {
"a": 42.731,
"b": 42.731,
"c": 230.839,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.519],
"number_observations_unique": 13749,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.519],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.413
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
{
"resolution_limits": [2.760,2.650],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.880,2.760],
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.040,2.880],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.230,3.040],
"number_observations_unique": 1365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.470,3.230],
"number_observations_unique": 1375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [3.820,3.470],
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [4.380,3.820],
"number_observations_unique": 1396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [5.510,4.380],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.200
}
]
},
{
"resolution_limits": [50.000,5.510],
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
}
]
}
]
}