Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a4373f398c50b918126d9ee4c448840",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 82.245,
"b": 103.490,
"c": 100.858,
"alpha": 90.0,
"beta": 105.1,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.300],
"number_observations_unique": 72412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 16.10
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations_unique": 7183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.486
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.480,2.380],
"number_observations_unique": 7179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.388
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.590,2.480],
"number_observations_unique": 7218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.730,2.590],
"number_observations_unique": 7217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [2.900,2.730],
"number_observations_unique": 7187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.120,2.900],
"number_observations_unique": 7231,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.440,3.120],
"number_observations_unique": 7265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [3.930,3.440],
"number_observations_unique": 7248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [4.950,3.930],
"number_observations_unique": 7296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.800
}
]
},
{
"resolution_limits": [50.000,4.950],
"number_observations_unique": 7388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.700
}
]
}
]
}