Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a8ab87da88e1aae044a1b6ed853af6f8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.61,
"b": 74.98,
"c": 115.28,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.750],
"number_observations_unique": 11070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 2.63
}
]
},
"refln_shells": [
{
"resolution_limits": [2.800,2.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 2.60
}
]
},
{
"resolution_limits": [2.900,2.800],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "I/SigI",
"value": 1.840
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [3.000,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.657
},
{
"type": "I/SigI",
"value": 2.360
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [3.500,3.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.760
},
{
"type": "Completeness",
"value": 96.900
}
]
},
{
"resolution_limits": [4.000,3.500],
"quality_factors": [
{
"type": "R(merge)",
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},
{
"type": "I/SigI",
"value": 10.630
},
{
"type": "Completeness",
"value": 95.900
}
]
},
{
"resolution_limits": [6.000,4.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 16.390
},
{
"type": "Completeness",
"value": 95.800
}
]
},
{
"resolution_limits": [10.000,6.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 21.140
},
{
"type": "Completeness",
"value": 94.400
}
]
},
{
"resolution_limits": [19.82,10.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 82.400
}
]
}
]
}