Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e81d630d84ab8fc3dbb9a032b345d11d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.76,
"b": 60.40,
"c": 88.59,
"alpha": 90.00,
"beta": 104.26,
"gamma": 90.00
},
"wavelengths": [0.97903],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.404,1.8490],
"number_observations_unique": 38530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 10.270
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.44
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.960,1.850],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.950
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 77.400
}
]
},
{
"resolution_limits": [2.100,1.960],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.980
},
{
"type": "Completeness",
"value": 97.100
}
]
},
{
"resolution_limits": [2.260,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.480,2.260],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 4.810
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.770,2.480],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "I/SigI",
"value": 7.690
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [3.200,2.770],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 13.340
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [3.910,3.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 24.890
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [5.520,3.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 35.340
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [49.404,5.520],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 35.770
},
{
"type": "Completeness",
"value": 99.500
}
]
}
]
}