Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a4da9e85893c7c3ba04130ccf28d8d4e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.189,
"b": 95.678,
"c": 184.490,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91837,0.97963,0.97916],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.587,2.20],
"number_observations_unique": 59238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 7.980
},
{
"type": "Completeness",
"value": 98.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations": 20383,
"number_observations_unique": 10943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 95.200
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations": 20341,
"number_observations_unique": 10834,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 97.200
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations": 21380,
"number_observations_unique": 11284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.332
},
{
"type": "I/SigI",
"value": 2.5
},
{
"type": "Completeness",
"value": 97.800
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations": 21121,
"number_observations_unique": 11053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations": 20919,
"number_observations_unique": 10888,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.204
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 98.400
}
]
},
{
"resolution_limits": [2.980,2.770],
"number_observations": 21470,
"number_observations_unique": 11070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 5.3
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [3.280,2.980],
"number_observations": 21894,
"number_observations_unique": 11245,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 98.900
}
]
},
{
"resolution_limits": [3.760,3.280],
"number_observations": 22124,
"number_observations_unique": 11354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 98.800
}
]
},
{
"resolution_limits": [4.720,3.760],
"number_observations": 21755,
"number_observations_unique": 11125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.4
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [29.587,4.720],
"number_observations": 22146,
"number_observations_unique": 11236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.2
},
{
"type": "Completeness",
"value": 98.000
}
]
}
]
}