Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e453e289db5a3856e2071ac00356f67",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 161.948,
"b": 77.402,
"c": 111.176,
"alpha": 90.00,
"beta": 127.06,
"gamma": 90.00
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.7,2.7],
"number_observations_unique": 30397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.9
}
]
},
"refln_shells": [
{
"resolution_limits": [2.8,2.7],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 97.9
}
]
},
{
"resolution_limits": [3.0,2.8],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 3.7
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.2,3.0],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "I/SigI",
"value": 6.2
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.5,3.2],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.8,3.5],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 15.5
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.3,3.8],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 21.5
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [4.9,4.3],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 30.9
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [6.0,4.9],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 30.6
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [8.5,6.0],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 31.1
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [46.7,8.5],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 46.0
},
{
"type": "Completeness",
"value": 99.4
}
]
}
]
}