Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "65e5bee485d0d2fdca7e539e6b5f4c0a",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 99.245,
"b": 104.191,
"c": 368.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07500],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.0,3.100],
"number_observations_unique": 32098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 7.4
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 13.1
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.650
},
{
"type": "Completeness",
"value": 87.8
},
{
"type": "Redundancy",
"value": 13.4
}
]
},
{
"resolution_limits": [3.340,3.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.507
},
{
"type": "Completeness",
"value": 87.1
},
{
"type": "Redundancy",
"value": 13.4
}
]
},
{
"resolution_limits": [3.490,3.340],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "Completeness",
"value": 87.0
},
{
"type": "Redundancy",
"value": 13.4
}
]
},
{
"resolution_limits": [3.680,3.490],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "Completeness",
"value": 87.8
},
{
"type": "Redundancy",
"value": 13.3
}
]
},
{
"resolution_limits": [3.910,3.680],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 87.1
},
{
"type": "Redundancy",
"value": 13.3
}
]
},
{
"resolution_limits": [4.210,3.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "Completeness",
"value": 87.6
},
{
"type": "Redundancy",
"value": 13.1
}
]
},
{
"resolution_limits": [4.630,4.210],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 92.2
},
{
"type": "Redundancy",
"value": 12.6
}
]
},
{
"resolution_limits": [5.300,4.630],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 12.1
}
]
},
{
"resolution_limits": [6.670,5.300],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.1
}
]
},
{
"resolution_limits": [50.000,6.670],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 13.5
}
]
}
]
}