Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d985b933d0a53764107a86dedb13691",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 106.524,
"b": 106.524,
"c": 258.644,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.05],
"number_observations": 803445,
"number_observations_unique": 83855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 3.4
},
{
"type": "Completeness",
"value": 89.1
},
{
"type": "Redundancy",
"value": 9.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.16,2.12],
"number_observations_unique": 2605,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.789
},
{
"type": "R(meas)",
"value": 2.183
},
{
"type": "R(pim)",
"value": 1.220
},
{
"type": "Completeness",
"value": 56.4
},
{
"type": "Redundancy",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.244
}
]
},
{
"resolution_limits": [2.21,2.16],
"number_observations_unique": 3421,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.067
},
{
"type": "R(meas)",
"value": 2.421
},
{
"type": "R(pim)",
"value": 1.219
},
{
"type": "Completeness",
"value": 73.9
},
{
"type": "Redundancy",
"value": 2.7
},
{
"type": "CC(1/2)",
"value": 0.185
}
]
},
{
"resolution_limits": [2.26,2.21],
"number_observations_unique": 4007,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.954
},
{
"type": "R(meas)",
"value": 2.178
},
{
"type": "R(pim)",
"value": 0.926
},
{
"type": "Completeness",
"value": 86.2
},
{
"type": "Redundancy",
"value": 3.8
},
{
"type": "CC(1/2)",
"value": 0.255
}
]
},
{
"resolution_limits": [2.31,2.26],
"number_observations_unique": 4343,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.876
},
{
"type": "R(meas)",
"value": 2.024
},
{
"type": "R(pim)",
"value": 0.734
},
{
"type": "Completeness",
"value": 93.6
},
{
"type": "Redundancy",
"value": 5.5
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [2.37,2.31],
"number_observations_unique": 4494,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.711
},
{
"type": "R(meas)",
"value": 1.822
},
{
"type": "R(pim)",
"value": 0.606
},
{
"type": "Completeness",
"value": 96.8
},
{
"type": "Redundancy",
"value": 7.1
},
{
"type": "CC(1/2)",
"value": 0.545
}
]
},
{
"resolution_limits": [2.43,2.37],
"number_observations_unique": 4628,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.505
},
{
"type": "R(meas)",
"value": 1.580
},
{
"type": "R(pim)",
"value": 0.468
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 0.676
}
]
},
{
"resolution_limits": [2.50,2.43],
"number_observations_unique": 4587,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.226
},
{
"type": "R(meas)",
"value": 1.283
},
{
"type": "R(pim)",
"value": 0.373
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 10.5
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [2.58,2.50],
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.972
},
{
"type": "R(meas)",
"value": 1.015
},
{
"type": "R(pim)",
"value": 0.285
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [2.68,2.58],
"number_observations_unique": 4672,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.780
},
{
"type": "R(meas)",
"value": 0.814
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 11.6
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [2.78,2.68],
"number_observations_unique": 4673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.4
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [2.91,2.78],
"number_observations_unique": 4686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.410
},
{
"type": "R(meas)",
"value": 0.429
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.961
}
]
},
{
"resolution_limits": [3.06,2.91],
"number_observations_unique": 4687,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.295
},
{
"type": "R(meas)",
"value": 0.308
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.5
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.25,3.06],
"number_observations_unique": 4729,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.209
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.51,3.25],
"number_observations_unique": 4728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.1
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.86,3.51],
"number_observations_unique": 4750,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.9
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.42,3.86],
"number_observations_unique": 4802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.56,4.42],
"number_observations_unique": 4842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,5.56],
"number_observations_unique": 5143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}