Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dd6e8d17fccfa18768954c27fa276a47",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 102.222,
"b": 80.637,
"c": 141.833,
"alpha": 90.00,
"beta": 99.11,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 39360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.69,2.59],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.82,2.69],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.524
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.96,2.82],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.15,2.96],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.39,3.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [3.73,3.39],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [4.27,3.73],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.30
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [5.38,4.27],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.102
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [50.00,5.38],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
}
]
}