Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f4d9c34c03f6d65b8fb7cc72f903b7c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 46.628,
"b": 75.661,
"c": 88.740,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.930],
"number_observations_unique": 23119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.333
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.100,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [2.200,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.310,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.460,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.650,2.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.910,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.330,2.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [4.190,3.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [20.000,4.190],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 4.300
}
]
}
]
}