Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c5218ae59f98a564653885facba5b7aa",
"space_group_name": "I 41 2 2",
"unit_cell": {
"a": 108.169,
"b": 108.169,
"c": 198.058,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97942],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,1.70],
"number_observations_unique": 64024,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 18.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 2464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.496
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "Completeness",
"value": 77.7
},
{
"type": "Redundancy",
"value": 11.1
},
{
"type": "CC(1/2)",
"value": 0.622
}
]
},
{
"resolution_limits": [1.76,1.73],
"number_observations_unique": 3209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.460
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 12.9
},
{
"type": "CC(1/2)",
"value": 0.803
}
]
},
{
"resolution_limits": [1.79,1.76],
"number_observations_unique": 3182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.423
},
{
"type": "R(meas)",
"value": 0.439
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.3
},
{
"type": "CC(1/2)",
"value": 0.812
}
]
},
{
"resolution_limits": [1.83,1.79],
"number_observations_unique": 3204,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.397
},
{
"type": "R(meas)",
"value": 0.411
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 13.5
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [1.87,1.83],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
{
"resolution_limits": [1.91,1.87],
"number_observations_unique": 3167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.354
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 14.2
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.96,1.91],
"number_observations_unique": 3223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.309
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 14.1
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [2.02,1.96],
"number_observations_unique": 3219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.257
},
{
"type": "R(meas)",
"value": 0.265
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 16.2
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.07,2.02],
"number_observations_unique": 3180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.6
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.14,2.07],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.2
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.22,2.14],
"number_observations_unique": 3221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 18.9
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.31,2.22],
"number_observations_unique": 3225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 18.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.41,2.31],
"number_observations_unique": 3233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 17.9
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.54,2.41],
"number_observations_unique": 3213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.70,2.54],
"number_observations_unique": 3239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.91,2.70],
"number_observations_unique": 3269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.9
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.20,2.91],
"number_observations_unique": 3252,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 21.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.66,3.20],
"number_observations_unique": 3293,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 24.5
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.61,3.66],
"number_observations_unique": 3315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 22.9
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [50.00,4.61],
"number_observations_unique": 3490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 23.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}