Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4f18ea261422b4cd91e84f3c7d18f15",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 71.28,
"b": 90.65,
"c": 138.47,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.0,1.850],
"number_observations_unique": 38156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 14.440
},
{
"type": "Completeness",
"value": 97.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.90,1.85],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 5.5
}
]
},
{
"resolution_limits": [2.00,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 6.8
}
]
},
{
"resolution_limits": [2.20,2.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 9.7
}
]
},
{
"resolution_limits": [2.40,2.20],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 13.2
}
]
},
{
"resolution_limits": [2.60,2.40],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.08
},
{
"type": "I/SigI",
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}
]
},
{
"resolution_limits": [2.80,2.60],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.1
}
]
},
{
"resolution_limits": [3.00,2.80],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 17.7
}
]
},
{
"resolution_limits": [3.50,3.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.5
}
]
},
{
"resolution_limits": [4.00,3.50],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 23.7
}
]
},
{
"resolution_limits": [5.00,4.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 26.0
}
]
},
{
"resolution_limits": [6.00,5.00],
"quality_factors": [
{
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"value": 0.04
},
{
"type": "I/SigI",
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}
]
},
{
"resolution_limits": [20.0,6.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 29.5
}
]
}
]
}