Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11b185d2fc0da9f20786e437d3a17cb6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.29,
"b": 73.46,
"c": 52.62,
"alpha": 90.00,
"beta": 109.37,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.73,1.85],
"number_observations": 55117,
"number_observations_unique": 20704,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 9.99
},
{
"type": "Completeness",
"value": 74.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.96,1.85],
"number_observations": 2650,
"number_observations_unique": 1718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.594
},
{
"type": "R(meas)",
"value": 0.784
},
{
"type": "I/SigI",
"value": 1.25
},
{
"type": "CC(1/2)",
"value": 0.667
}
]
},
{
"resolution_limits": [2.09,1.96],
"number_observations": 4304,
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.452
},
{
"type": "R(meas)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.88
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [2.26,2.09],
"number_observations": 4854,
"number_observations_unique": 2457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.347
},
{
"type": "R(meas)",
"value": 0.443
},
{
"type": "I/SigI",
"value": 2.74
},
{
"type": "CC(1/2)",
"value": 0.829
}
]
},
{
"resolution_limits": [2.48,2.26],
"number_observations": 7429,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.258
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 4.10
},
{
"type": "CC(1/2)",
"value": 0.922
}
]
},
{
"resolution_limits": [2.77,2.48],
"number_observations": 9015,
"number_observations_unique": 3097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 6.63
},
{
"type": "CC(1/2)",
"value": 0.97
}
]
},
{
"resolution_limits": [3.19,2.77],
"number_observations": 9444,
"number_observations_unique": 2818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 11.65
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [3.91,3.19],
"number_observations": 7545,
"number_observations_unique": 2367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.04
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.5,3.91],
"number_observations": 5987,
"number_observations_unique": 1852,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 26.82
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}