Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1e6a85218974f1b21c8fade339e05d2",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 30.460,
"b": 30.460,
"c": 81.889,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [25.000,1.500],
"number_observations": 145275,
"number_observations_unique": 6684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 8.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.988
},
{
"type": "R(meas)",
"value": 1.040
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [1.550,1.530],
"number_observations_unique": 319,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.870
},
{
"type": "R(meas)",
"value": 0.905
},
{
"type": "R(pim)",
"value": 0.241
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.861
}
]
},
{
"resolution_limits": [1.580,1.550],
"number_observations_unique": 318,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.734
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "R(pim)",
"value": 0.183
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 16.000
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.678
},
{
"type": "R(meas)",
"value": 0.696
},
{
"type": "R(pim)",
"value": 0.156
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.650,1.620],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.603
},
{
"type": "R(meas)",
"value": 0.617
},
{
"type": "R(pim)",
"value": 0.130
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 22.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.690,1.650],
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.730,1.690],
"number_observations_unique": 313,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.361
},
{
"type": "R(meas)",
"value": 0.369
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.780,1.730],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.830,1.780],
"number_observations_unique": 322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.296
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [1.890,1.830],
"number_observations_unique": 340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.960,1.890],
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.040,1.960],
"number_observations_unique": 344,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.178
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 26.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.130,2.040],
"number_observations_unique": 328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.240,2.130],
"number_observations_unique": 333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.134
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.380,2.240],
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.560,2.380],
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 24.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.820,2.560],
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.230,2.820],
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 21.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.070,3.230],
"number_observations_unique": 359,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [25.000,4.070],
"number_observations_unique": 417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}