Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35771f6687c52920a1b9e700f51bfaa3",
"space_group_name": "P 43 2 2",
"unit_cell": {
"a": 48.638,
"b": 48.638,
"c": 206.011,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.691,1.798],
"number_observations_unique": 23815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.800],
"number_observations": 34792,
"number_observations_unique": 3251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.495
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 10.700
}
]
},
{
"resolution_limits": [2.010,1.900],
"number_observations": 37278,
"number_observations_unique": 3245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.500
}
]
},
{
"resolution_limits": [2.150,2.010],
"number_observations": 35585,
"number_observations_unique": 3035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.700
}
]
},
{
"resolution_limits": [2.320,2.150],
"number_observations": 35784,
"number_observations_unique": 2850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 5.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
}
]
},
{
"resolution_limits": [2.540,2.320],
"number_observations": 32439,
"number_observations_unique": 2641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.300
}
]
},
{
"resolution_limits": [2.840,2.540],
"number_observations": 29870,
"number_observations_unique": 2414,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [3.280,2.840],
"number_observations": 26529,
"number_observations_unique": 2142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.400
}
]
},
{
"resolution_limits": [4.020,3.280],
"number_observations": 20394,
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.000
}
]
},
{
"resolution_limits": [5.690,4.020],
"number_observations": 17143,
"number_observations_unique": 1478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.600
}
]
},
{
"resolution_limits": [39.546,5.690],
"number_observations": 9139,
"number_observations_unique": 912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 20.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
}
]
}
]
}