Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ab721bc71a90c2119c9fe9fff3f74265",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 211.756,
"b": 299.274,
"c": 574.365,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.800],
"number_observations_unique": 441568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.90,2.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.893
},
{
"type": "Completeness",
"value": 99.40
},
{
"type": "Redundancy",
"value": 4.30
}
]
},
{
"resolution_limits": [3.02,2.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.665
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.80
}
]
},
{
"resolution_limits": [3.15,3.02],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.32,3.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.53,3.32],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.201
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [3.80,3.53],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [4.18,3.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [4.79,4.18],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [6.03,4.79],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.50
}
]
},
{
"resolution_limits": [50.00,6.03],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 7.20
}
]
}
]
}