Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54a88468870983a9dfba6a799bff9a6f",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 52.64,
"b": 149.67,
"c": 79.46,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.83,1.550],
"number_observations": 191477,
"number_observations_unique": 45267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.550],
"number_observations": 15752,
"number_observations_unique": 4512,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 3.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.490
}
]
},
{
"resolution_limits": [1.670,1.610],
"number_observations": 16442,
"number_observations_unique": 4519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.227
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.640
}
]
},
{
"resolution_limits": [1.750,1.670],
"number_observations": 17513,
"number_observations_unique": 4545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.850
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations": 19293,
"number_observations_unique": 4551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.220
}
]
},
{
"resolution_limits": [1.950,1.840],
"number_observations": 20524,
"number_observations_unique": 4559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.470
}
]
},
{
"resolution_limits": [2.100,1.950],
"number_observations": 20987,
"number_observations_unique": 4565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 14.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.570
}
]
},
{
"resolution_limits": [2.310,2.100],
"number_observations": 20825,
"number_observations_unique": 4542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.570
}
]
},
{
"resolution_limits": [2.650,2.310],
"number_observations": 20587,
"number_observations_unique": 4541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.330,2.650],
"number_observations": 19886,
"number_observations_unique": 4473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [19.810,3.330],
"number_observations": 19668,
"number_observations_unique": 4460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 39.000
},
{
"type": "Completeness",
"value": 92.500
},
{
"type": "Redundancy",
"value": 4.280
}
]
}
]
}