Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3173b5393acc83a684b7229a27dec9f1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.992,
"b": 90.120,
"c": 103.175,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.500],
"number_observations": 280551,
"number_observations_unique": 22080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 12.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations_unique": 2160,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.283
},
{
"type": "R(meas)",
"value": 2.378
},
{
"type": "R(pim)",
"value": 0.656
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations_unique": 2164,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.745
},
{
"type": "R(meas)",
"value": 1.819
},
{
"type": "R(pim)",
"value": 0.507
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.400
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [2.820,2.690],
"number_observations_unique": 2155,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.336
},
{
"type": "R(meas)",
"value": 1.399
},
{
"type": "R(pim)",
"value": 0.407
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.716
}
]
},
{
"resolution_limits": [2.960,2.820],
"number_observations_unique": 2176,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.083
},
{
"type": "R(meas)",
"value": 1.126
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations_unique": 2195,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.750
},
{
"type": "R(meas)",
"value": 0.779
},
{
"type": "R(pim)",
"value": 0.208
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.928
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations_unique": 2220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.529
},
{
"type": "R(meas)",
"value": 0.550
},
{
"type": "R(pim)",
"value": 0.149
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations_unique": 2214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [4.270,3.730],
"number_observations_unique": 2213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.186
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [5.380,4.270],
"number_observations_unique": 2248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [50.000,5.380],
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}