Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e982130adb77f498345639362e23fdf7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 46.52,
"b": 56.79,
"c": 85.89,
"alpha": 90.00,
"beta": 101.43,
"gamma": 90.00
},
"wavelengths": [0.95600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.19,2.100],
"number_observations_unique": 25774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.100],
"number_observations": 23063,
"number_observations_unique": 6079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.400,2.300],
"number_observations": 8824,
"number_observations_unique": 2332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 4.420
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.500,2.400],
"number_observations": 7545,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.600,2.500],
"number_observations": 6483,
"number_observations_unique": 1715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "I/SigI",
"value": 7.140
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.700,2.600],
"number_observations": 5468,
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 8.860
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [3.000,2.700],
"number_observations": 12333,
"number_observations_unique": 3266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 12.770
},
{
"type": "Completeness",
"value": 99.600
}
]
},
{
"resolution_limits": [4.000,3.000],
"number_observations": 19200,
"number_observations_unique": 5130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 23.900
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.000,4.000],
"number_observations": 6729,
"number_observations_unique": 1841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.720
},
{
"type": "Completeness",
"value": 99.500
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 2976,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 33.590
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 3287,
"number_observations_unique": 893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 34.350
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [84.19,10.000],
"number_observations": 889,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 38.410
},
{
"type": "Completeness",
"value": 97.700
}
]
}
]
}