Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6384e59e6580e02f04235bd0766f5dbd",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 121.334,
"b": 121.334,
"c": 94.470,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [94.47,2.319],
"number_observations_unique": 31196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.7
}
]
},
"refln_shells": [
{
"resolution_limits": [2.360,2.319],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.918
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.400,2.360],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.821
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.450,2.400],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.732
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [2.500,2.450],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.609
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.550,2.500],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.538
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.100
}
]
},
{
"resolution_limits": [2.610,2.550],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 8.900
}
]
},
{
"resolution_limits": [2.680,2.610],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.750,2.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.414
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.830,2.750],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.100
}
]
},
{
"resolution_limits": [2.920,2.830],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [3.030,2.920],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [3.150,3.030],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.200
}
]
},
{
"resolution_limits": [3.290,3.150],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [3.470,3.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [3.680,3.470],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [3.970,3.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [4.370,3.970],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.500
}
]
},
{
"resolution_limits": [5.000,4.370],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 9.400
}
]
},
{
"resolution_limits": [6.290,5.000],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 9.300
}
]
},
{
"resolution_limits": [50.000,6.290],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 8.500
}
]
}
]
}