Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "456f6c9fe7b25b80538d19ebf9b50b1c",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 74.507,
"b": 104.120,
"c": 99.552,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.834,1.950],
"number_observations_unique": 27466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.950],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "Completeness",
"value": 91.6
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.100,2.020],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 4.5
}
]
},
{
"resolution_limits": [2.200,2.100],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 4.6
}
]
},
{
"resolution_limits": [2.310,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [2.460,2.310],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 98.3
},
{
"type": "Redundancy",
"value": 4.8
}
]
},
{
"resolution_limits": [2.650,2.460],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 97.6
},
{
"type": "Redundancy",
"value": 4.9
}
]
},
{
"resolution_limits": [2.910,2.650],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 96.9
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [3.330,2.910],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "Completeness",
"value": 96.1
},
{
"type": "Redundancy",
"value": 5.0
}
]
},
{
"resolution_limits": [4.200,3.330],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 94.4
},
{
"type": "Redundancy",
"value": 5.1
}
]
},
{
"resolution_limits": [50.000,4.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 90.0
},
{
"type": "Redundancy",
"value": 5.1
}
]
}
]
}