Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "833432e8d22ecd0437e48ed00c5696bf",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 105.801,
"b": 105.801,
"c": 222.238,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.000,2.000],
"number_observations_unique": 49966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.15,2.07],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.433
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.25,2.15],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.37,2.25],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.284
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.52,2.37],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.71,2.52],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [2.99,2.71],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 11.00
}
]
},
{
"resolution_limits": [3.42,2.99],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 10.80
}
]
},
{
"resolution_limits": [4.31,3.42],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 10.30
}
]
},
{
"resolution_limits": [30.00,4.31],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "Completeness",
"value": 99.50
},
{
"type": "Redundancy",
"value": 9.80
}
]
}
]
}