Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2dd9c81bd74f47c67910d452c0a78ae8",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 39.159,
"b": 57.656,
"c": 93.315,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91980],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.000],
"number_observations_unique": 7405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 23.186
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 4.70
}
]
},
{
"resolution_limits": [2.15,2.07],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.25,2.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.269
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.37,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.210
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.52,2.37],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.71,2.52],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [2.99,2.71],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 5.10
}
]
},
{
"resolution_limits": [3.42,2.99],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [4.31,3.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 5.00
}
]
},
{
"resolution_limits": [50.00,4.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "Completeness",
"value": 97.30
},
{
"type": "Redundancy",
"value": 4.90
}
]
}
]
}