Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c797df50577884ed4fabc9434a8a6931",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 139.935,
"b": 139.935,
"c": 208.238,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.04000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [15.990,1.500],
"number_observations_unique": 123676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.480
}
]
},
"refln_shells": [
{
"resolution_limits": [1.550,1.500],
"number_observations": 26772,
"number_observations_unique": 11758,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 2.260
}
]
},
{
"resolution_limits": [1.620,1.550],
"number_observations": 38192,
"number_observations_unique": 12334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.080
}
]
},
{
"resolution_limits": [1.690,1.620],
"number_observations": 44977,
"number_observations_unique": 12362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.610
}
]
},
{
"resolution_limits": [1.780,1.690],
"number_observations": 45323,
"number_observations_unique": 12373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 5.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.630
}
]
},
{
"resolution_limits": [1.890,1.780],
"number_observations": 45747,
"number_observations_unique": 12422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.650
}
]
},
{
"resolution_limits": [2.040,1.890],
"number_observations": 45840,
"number_observations_unique": 12389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.670
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations": 46251,
"number_observations_unique": 12439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.690
}
]
},
{
"resolution_limits": [2.560,2.240],
"number_observations": 46600,
"number_observations_unique": 12476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.710
}
]
},
{
"resolution_limits": [3.220,2.560],
"number_observations": 46938,
"number_observations_unique": 12544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 21.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.720
}
]
},
{
"resolution_limits": [15.990,3.220],
"number_observations": 47245,
"number_observations_unique": 12579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.720
}
]
}
]
}