Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7079bb349e21916bdb248e645213ea3",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.42,
"b": 71.42,
"c": 85.08,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,1.790],
"number_observations_unique": 21349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.880
}
]
},
"refln_shells": [
{
"resolution_limits": [1.86,1.79],
"number_observations": 16906,
"number_observations_unique": 2014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "I/SigI",
"value": 5.7
},
{
"type": "Completeness",
"value": 96.70
},
{
"type": "Redundancy",
"value": 8.36
}
]
},
{
"resolution_limits": [1.93,1.86],
"number_observations": 18501,
"number_observations_unique": 2106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "I/SigI",
"value": 5.8
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.74
}
]
},
{
"resolution_limits": [2.02,1.93],
"number_observations": 18517,
"number_observations_unique": 2092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "I/SigI",
"value": 6.6
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.80
}
]
},
{
"resolution_limits": [2.13,2.02],
"number_observations": 18933,
"number_observations_unique": 2103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.94
}
]
},
{
"resolution_limits": [2.26,2.13],
"number_observations": 19435,
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "I/SigI",
"value": 8.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.09
}
]
},
{
"resolution_limits": [2.44,2.26],
"number_observations": 19529,
"number_observations_unique": 2128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 10.4
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.10
}
]
},
{
"resolution_limits": [2.68,2.44],
"number_observations": 19471,
"number_observations_unique": 2125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "I/SigI",
"value": 13.2
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.11
}
]
},
{
"resolution_limits": [3.07,2.68],
"number_observations": 19821,
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 18.7
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.09
}
]
},
{
"resolution_limits": [3.86,3.07],
"number_observations": 19939,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 31.0
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 9.02
}
]
},
{
"resolution_limits": [20.00,3.86],
"number_observations": 19874,
"number_observations_unique": 2309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 46.5
},
{
"type": "Completeness",
"value": 100.00
},
{
"type": "Redundancy",
"value": 8.50
}
]
}
]
}