Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "edde47b3e87219e152715a6f18a7e065",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 96.979,
"b": 96.979,
"c": 111.352,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 42222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"number_observations_unique": 4151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.70
}
]
},
{
"resolution_limits": [2.05,1.97],
"number_observations_unique": 4181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.627
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [2.14,2.05],
"number_observations_unique": 4179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.40
}
]
},
{
"resolution_limits": [2.25,2.14],
"number_observations_unique": 4199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.40
}
]
},
{
"resolution_limits": [2.39,2.25],
"number_observations_unique": 4191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.40
}
]
},
{
"resolution_limits": [2.58,2.39],
"number_observations_unique": 4210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 9.40
}
]
},
{
"resolution_limits": [2.84,2.58],
"number_observations_unique": 4242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 9.30
}
]
},
{
"resolution_limits": [3.25,2.84],
"number_observations_unique": 4237,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 9.20
}
]
},
{
"resolution_limits": [4.09,3.25],
"number_observations_unique": 4240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 98.10
},
{
"type": "Redundancy",
"value": 8.90
}
]
},
{
"resolution_limits": [50.00,4.09],
"number_observations_unique": 4392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "Completeness",
"value": 96.40
},
{
"type": "Redundancy",
"value": 8.30
}
]
}
]
}