Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c095ddef348e333850f2284f8a72b7a",
"space_group_name": "P 42 21 2",
"unit_cell": {
"a": 138.007,
"b": 138.007,
"c": 113.675,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.12710],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [97.586,3.000],
"number_observations_unique": 22186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 11.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
"refln_shells": [
{
"resolution_limits": [3.33,3.16],
"number_observations": 16250,
"number_observations_unique": 2765,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 1.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [3.53,3.33],
"number_observations": 15997,
"number_observations_unique": 2610,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [3.78,3.53],
"number_observations": 14490,
"number_observations_unique": 2441,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "I/SigI",
"value": 2.9
},
{
"type": "Completeness",
"value": 99.0
},
{
"type": "Redundancy",
"value": 5.9
}
]
},
{
"resolution_limits": [4.08,3.78],
"number_observations": 13966,
"number_observations_unique": 2291,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 4.8
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [4.47,4.08],
"number_observations": 12716,
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [5.00,4.47],
"number_observations": 11323,
"number_observations_unique": 1903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 8.8
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 6.0
}
]
},
{
"resolution_limits": [5.77,5.00],
"number_observations": 10395,
"number_observations_unique": 1712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 98.7
},
{
"type": "Redundancy",
"value": 6.1
}
]
},
{
"resolution_limits": [7.07,5.77],
"number_observations": 8424,
"number_observations_unique": 1446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 5.8
}
]
},
{
"resolution_limits": [9.99,7.07],
"number_observations": 6619,
"number_observations_unique": 1154,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 12.3
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 5.7
}
]
},
{
"resolution_limits": [49.11,9.99],
"number_observations": 3504,
"number_observations_unique": 669,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 5.2
}
]
}
]
}