Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "853dd15faac3fb733e510862ee64e15d",
"space_group_name": "F 2 2 2",
"unit_cell": {
"a": 102.36,
"b": 144.36,
"c": 167.15,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54179],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.349,1.750],
"number_observations_unique": 60672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.391
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.900
}
]
},
"refln_shells": [
{
"resolution_limits": [1.84,1.75],
"number_observations": 33572,
"number_observations_unique": 8956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.70
},
{
"type": "Redundancy",
"value": 3.70
}
]
},
{
"resolution_limits": [1.96,1.84],
"number_observations": 32185,
"number_observations_unique": 8475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "I/SigI",
"value": 3.6
},
{
"type": "Completeness",
"value": 99.60
},
{
"type": "Redundancy",
"value": 3.80
}
]
},
{
"resolution_limits": [2.09,1.96],
"number_observations": 30625,
"number_observations_unique": 7942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 5.0
},
{
"type": "Completeness",
"value": 99.10
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.26,2.09],
"number_observations": 28748,
"number_observations_unique": 7363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.3
},
{
"type": "Completeness",
"value": 98.90
},
{
"type": "Redundancy",
"value": 3.90
}
]
},
{
"resolution_limits": [2.47,2.26],
"number_observations": 26719,
"number_observations_unique": 6753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.2
},
{
"type": "Completeness",
"value": 98.30
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [2.77,2.47],
"number_observations": 24604,
"number_observations_unique": 6112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 14.2
},
{
"type": "Completeness",
"value": 97.70
},
{
"type": "Redundancy",
"value": 4.00
}
]
},
{
"resolution_limits": [3.20,2.77],
"number_observations": 21755,
"number_observations_unique": 5315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.9
},
{
"type": "Completeness",
"value": 96.80
},
{
"type": "Redundancy",
"value": 4.10
}
]
},
{
"resolution_limits": [3.91,3.20],
"number_observations": 18693,
"number_observations_unique": 4476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.3
},
{
"type": "Completeness",
"value": 95.50
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [5.53,3.91],
"number_observations": 14590,
"number_observations_unique": 3433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 20.4
},
{
"type": "Completeness",
"value": 93.70
},
{
"type": "Redundancy",
"value": 4.20
}
]
},
{
"resolution_limits": [37.35,5.53],
"number_observations": 7860,
"number_observations_unique": 1847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.5
},
{
"type": "Completeness",
"value": 89.90
},
{
"type": "Redundancy",
"value": 4.30
}
]
}
]
}