Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "22bac7e8bae0e452d86cfb228e1e82a2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 180.695,
"b": 28.373,
"c": 32.640,
"alpha": 90.00,
"beta": 90.01,
"gamma": 90.00
},
"wavelengths": [0.91837,0.97932,0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.634,1.40],
"number_observations_unique": 32922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.400
}
]
},
"refln_shells": [
{
"resolution_limits": [1.45,1.40],
"number_observations": 11443,
"number_observations_unique": 3244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 98.80
}
]
},
{
"resolution_limits": [1.51,1.45],
"number_observations": 11778,
"number_observations_unique": 3344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 99.20
}
]
},
{
"resolution_limits": [1.58,1.51],
"number_observations": 11677,
"number_observations_unique": 3315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.30
}
]
},
{
"resolution_limits": [1.66,1.58],
"number_observations": 11168,
"number_observations_unique": 3160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.90
}
]
},
{
"resolution_limits": [1.76,1.66],
"number_observations": 11114,
"number_observations_unique": 3137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 8.4
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [1.90,1.76],
"number_observations": 11971,
"number_observations_unique": 3392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.09,1.90],
"number_observations": 11476,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 17.4
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [2.39,2.09],
"number_observations": 11645,
"number_observations_unique": 3325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 21.1
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [3.01,2.39],
"number_observations": 11760,
"number_observations_unique": 3333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 24.3
},
{
"type": "Completeness",
"value": 99.60
}
]
},
{
"resolution_limits": [32.634,3.01],
"number_observations": 11712,
"number_observations_unique": 3419,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 27.7
},
{
"type": "Completeness",
"value": 98.50
}
]
}
]
}