Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "334d169b09982266dbcf8b61609e77e8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 269.270,
"b": 52.632,
"c": 128.119,
"alpha": 90.00,
"beta": 90.33,
"gamma": 90.00
},
"wavelengths": [1.08090],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.300],
"number_observations_unique": 80450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 3.600
}
]
},
{
"resolution_limits": [2.480,2.380],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.530
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.590,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.730,2.590],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [2.900,2.730],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.221
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.120,2.900],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
{
"resolution_limits": [3.430,3.120],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [3.930,3.430],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [4.930,3.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.000
}
]
},
{
"resolution_limits": [20.000,4.930],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
}
]
}