Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5e10af2a6b7c1ce19f964a4ede60a8aa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 145.395,
"b": 68.579,
"c": 106.501,
"alpha": 90.00,
"beta": 94.69,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,2.90],
"number_observations_unique": 23346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 20.0
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
"refln_shells": [
{
"resolution_limits": [3.00,2.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 97.0
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [3.12,3.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.5
}
]
},
{
"resolution_limits": [3.27,3.12],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [3.44,3.27],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.65,3.44],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.93,3.65],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [4.33,3.93],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [4.95,4.33],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [6.23,4.95],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [30.00,6.23],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.6
}
]
}
]
}