Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5feb6baa98284d28cd5b7e7ca3379209",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.860,
"b": 83.471,
"c": 82.576,
"alpha": 90.00,
"beta": 96.17,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.750],
"number_observations_unique": 73250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 39.327
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [1.81,1.75],
"number_observations_unique": 5184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.299
},
{
"type": "Completeness",
"value": 67.20
},
{
"type": "Redundancy",
"value": 2.40
}
]
},
{
"resolution_limits": [1.89,1.81],
"number_observations_unique": 6881,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "Completeness",
"value": 89.40
},
{
"type": "Redundancy",
"value": 3.00
}
]
},
{
"resolution_limits": [1.97,1.89],
"number_observations_unique": 7631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.197
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [2.07,1.97],
"number_observations_unique": 7722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.20,2.07],
"number_observations_unique": 7722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.38,2.20],
"number_observations_unique": 7717,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.90
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.61,2.38],
"number_observations_unique": 7722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.80
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [2.99,2.61],
"number_observations_unique": 7667,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [3.77,2.99],
"number_observations_unique": 7598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.80
},
{
"type": "Redundancy",
"value": 3.60
}
]
},
{
"resolution_limits": [50.00,3.77],
"number_observations_unique": 7406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "Completeness",
"value": 93.90
},
{
"type": "Redundancy",
"value": 3.60
}
]
}
]
}