Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "afd91c31e73ba7c07c78892df0998e31",
"space_group_name": "P 1",
"unit_cell": {
"a": 74.97,
"b": 77.81,
"c": 99.64,
"alpha": 69.35,
"beta": 72.20,
"gamma": 83.33
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [100,2.900],
"number_observations_unique": 43561,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 11.980
},
{
"type": "Completeness",
"value": 97.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.000,2.900],
"number_observations": 16709,
"number_observations_unique": 4233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [3.100,3.000],
"number_observations": 14545,
"number_observations_unique": 3676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [3.200,3.100],
"number_observations": 12632,
"number_observations_unique": 3196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "I/SigI",
"value": 4.540
},
{
"type": "Completeness",
"value": 97.700
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations": 11304,
"number_observations_unique": 2863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 5.850
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations": 10068,
"number_observations_unique": 2553,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "I/SigI",
"value": 7.230
},
{
"type": "Completeness",
"value": 97.400
}
]
},
{
"resolution_limits": [3.500,3.400],
"number_observations": 8706,
"number_observations_unique": 2210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 8.490
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [4.000,3.500],
"number_observations": 31919,
"number_observations_unique": 8171,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 11.210
},
{
"type": "Completeness",
"value": 97.600
}
]
},
{
"resolution_limits": [4.500,4.000],
"number_observations": 19435,
"number_observations_unique": 4958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 17.240
},
{
"type": "Completeness",
"value": 97.900
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations": 12354,
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 20.650
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations": 14045,
"number_observations_unique": 3594,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 19.610
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations": 14919,
"number_observations_unique": 3863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 22.010
},
{
"type": "Completeness",
"value": 98.000
}
]
},
{
"resolution_limits": [100,10.000],
"number_observations": 3995,
"number_observations_unique": 1062,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 30.740
},
{
"type": "Completeness",
"value": 96.700
}
]
}
]
}