Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "25df8ef25c904e5ba50d369dec15b202",
"space_group_name": "H 3",
"unit_cell": {
"a": 141.458,
"b": 141.458,
"c": 83.807,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations_unique": 21417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 99.953
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 2158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.455
},
{
"type": "I/SigI",
"value": 3.5
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 2147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "I/SigI",
"value": 5.2
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 7.0
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 8.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 2134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 9.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 10.9
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 14.4
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.000
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 2139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 17.4
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.800
}
]
},
{
"resolution_limits": [50.000,5.380],
"number_observations_unique": 2143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 19.9
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.700
}
]
}
]
}