Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ea512b35b7301a53e50df3f3405a5c3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 106.466,
"b": 109.628,
"c": 181.930,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50,2.5],
"number_observations_unique": 74215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 11.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.3
}
]
},
"refln_shells": [
{
"resolution_limits": [2.59,2.50],
"number_observations_unique": 7323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.689
},
{
"type": "I/SigI",
"value": 3.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 6.6
}
]
},
{
"resolution_limits": [2.69,2.59],
"number_observations_unique": 7310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.513
},
{
"type": "I/SigI",
"value": 4.7
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.4
}
]
},
{
"resolution_limits": [2.82,2.69],
"number_observations_unique": 7365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.383
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [2.96,2.82],
"number_observations_unique": 7365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 9.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [3.15,2.96],
"number_observations_unique": 7352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 14.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [3.39,3.15],
"number_observations_unique": 7413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 22.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [3.73,3.39],
"number_observations_unique": 7396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 35.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [4.27,3.73],
"number_observations_unique": 7469,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 48.3
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.5
}
]
},
{
"resolution_limits": [5.38,4.27],
"number_observations_unique": 7513,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 55.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 7.0
}
]
},
{
"resolution_limits": [50.0,5.38],
"number_observations_unique": 7709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 63.5
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 6.9
}
]
}
]
}