Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f6636c5634c1f216ac5caf53f43ec88",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 121.943,
"b": 145.086,
"c": 63.947,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97932,0.91837,0.97858],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.970,2.65],
"number_observations_unique": 33147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 11.630
},
{
"type": "Completeness",
"value": 98.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.650],
"number_observations": 9677,
"number_observations_unique": 3064,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.570
},
{
"type": "I/SigI",
"value": 2.3
},
{
"type": "Completeness",
"value": 97.500
}
]
},
{
"resolution_limits": [2.850,2.740],
"number_observations": 11528,
"number_observations_unique": 3335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 99.700
}
]
},
{
"resolution_limits": [2.980,2.850],
"number_observations": 11472,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [3.140,2.980],
"number_observations": 11550,
"number_observations_unique": 3354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "I/SigI",
"value": 5.5
},
{
"type": "Completeness",
"value": 98.700
}
]
},
{
"resolution_limits": [3.340,3.140],
"number_observations": 11370,
"number_observations_unique": 3373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "I/SigI",
"value": 8.0
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.590,3.340],
"number_observations": 10019,
"number_observations_unique": 3161,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 10.8
},
{
"type": "Completeness",
"value": 96.600
}
]
},
{
"resolution_limits": [3.950,3.590],
"number_observations": 11520,
"number_observations_unique": 3342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 15.2
},
{
"type": "Completeness",
"value": 99.200
}
]
},
{
"resolution_limits": [4.520,3.950],
"number_observations": 11471,
"number_observations_unique": 3355,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [5.670,4.520],
"number_observations": 10553,
"number_observations_unique": 3278,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 20.8
},
{
"type": "Completeness",
"value": 96.400
}
]
},
{
"resolution_limits": [47.970,5.670],
"number_observations": 11382,
"number_observations_unique": 3554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 96.300
}
]
}
]
}