Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e112a3aae7de52b6e101eaeef421f427",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 102.23,
"b": 152.27,
"c": 296.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.640,3.63],
"number_observations_unique": 53125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [3.76,3.63],
"number_observations_unique": 5226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "I/SigI",
"value": 5.1
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [3.91,3.76],
"number_observations_unique": 5274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 6.0
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [4.09,3.91],
"number_observations_unique": 5218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 7.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.30,4.09],
"number_observations_unique": 5220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.2
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [4.57,4.30],
"number_observations_unique": 5280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.05
},
{
"type": "R(pim)",
"value": 0.05
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.944
}
]
},
{
"resolution_limits": [4.93,4.57],
"number_observations_unique": 5290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.42,4.93],
"number_observations_unique": 5302,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.2
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.21,5.42],
"number_observations_unique": 5325,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 17.6
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.82,6.21],
"number_observations_unique": 5395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 22.3
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [84.90,7.82],
"number_observations_unique": 5595,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.012
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.9
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}