Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cf2d9ce1fd43c20007b70c9019023c32",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 69.967,
"b": 69.967,
"c": 381.890,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.650],
"number_observations": 2071637,
"number_observations_unique": 68361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 30.300
}
]
},
"refln_shells": [
{
"resolution_limits": [1.710,1.650],
"number_observations_unique": 6689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.636
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.779
}
]
},
{
"resolution_limits": [1.780,1.710],
"number_observations_unique": 6657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 15.700
},
{
"type": "CC(1/2)",
"value": 0.887
}
]
},
{
"resolution_limits": [1.860,1.780],
"number_observations_unique": 6669,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 19.900
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [1.960,1.860],
"number_observations_unique": 6731,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.242
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.080,1.960],
"number_observations_unique": 6718,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 31.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.240,2.080],
"number_observations_unique": 6755,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.248
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 35.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.460,2.240],
"number_observations_unique": 6806,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 41.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.820,2.460],
"number_observations_unique": 6867,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 43.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.550,2.820],
"number_observations_unique": 6992,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 40.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [25.000,3.550],
"number_observations_unique": 7477,
"quality_factors": [
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 34.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}