Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a115b901afc035d54889bd7482ea1f18",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.683,
"b": 100.753,
"c": 63.463,
"alpha": 90.00,
"beta": 101.91,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 49623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.97,1.90],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 6.00
}
]
},
{
"resolution_limits": [2.05,1.97],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.14,2.05],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.25,2.14],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.39,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 6.30
}
]
},
{
"resolution_limits": [2.58,2.39],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 7.30
}
]
},
{
"resolution_limits": [2.84,2.58],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [3.25,2.84],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [4.09,3.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 8.60
}
]
},
{
"resolution_limits": [50.00,4.09],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 98.20
},
{
"type": "Redundancy",
"value": 7.70
}
]
}
]
}