Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c9e443bbf2045477d5eee9345f2c9cf2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 42.274,
"b": 91.435,
"c": 107.126,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97936],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.311,2.00],
"number_observations_unique": 28549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 9.720
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.59
}
]
},
"refln_shells": [
{
"resolution_limits": [2.07,2.00],
"number_observations": 9040,
"number_observations_unique": 4751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 89.60
}
]
},
{
"resolution_limits": [2.15,2.07],
"number_observations": 9977,
"number_observations_unique": 5204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.416
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.25,2.15],
"number_observations": 10576,
"number_observations_unique": 5507,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.306
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [2.37,2.25],
"number_observations": 10530,
"number_observations_unique": 5475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.52,2.37],
"number_observations": 10443,
"number_observations_unique": 5429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [2.71,2.52],
"number_observations": 10150,
"number_observations_unique": 5253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 99.00
}
]
},
{
"resolution_limits": [2.99,2.71],
"number_observations": 10680,
"number_observations_unique": 5517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [3.42,2.99],
"number_observations": 10371,
"number_observations_unique": 5346,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [4.30,3.42],
"number_observations": 10417,
"number_observations_unique": 5367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 24.3
},
{
"type": "Completeness",
"value": 98.90
}
]
},
{
"resolution_limits": [29.31,4.30],
"number_observations": 10425,
"number_observations_unique": 5321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 30.6
},
{
"type": "Completeness",
"value": 97.40
}
]
}
]
}