Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82bbd80d3bec90605b8ee894512dce18",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 105.173,
"b": 105.173,
"c": 108.657,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900,0.97920,0.96410],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,2.250],
"number_observations_unique": 32729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 30.86
},
{
"type": "Completeness",
"value": 97.8
},
{
"type": "Redundancy",
"value": 7.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.250],
"number_observations_unique": 2933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 2.73
},
{
"type": "Completeness",
"value": 88.8
},
{
"type": "Redundancy",
"value": 5.3
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations_unique": 3044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "Completeness",
"value": 92.6
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
{
"resolution_limits": [2.530,2.420],
"number_observations_unique": 3214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.5
}
]
},
{
"resolution_limits": [2.670,2.530],
"number_observations_unique": 3270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [2.830,2.670],
"number_observations_unique": 3333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [3.050,2.830],
"number_observations_unique": 3312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.1
}
]
},
{
"resolution_limits": [3.360,3.050],
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.3
}
]
},
{
"resolution_limits": [3.850,3.360],
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.9
}
]
},
{
"resolution_limits": [4.850,3.850],
"number_observations_unique": 3394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.9
}
]
},
{
"resolution_limits": [50.000,4.850],
"number_observations_unique": 3530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.6
}
]
}
]
}