Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3585d015036f9f4712ffc17d524da1a",
"space_group_name": "F 4 3 2",
"unit_cell": {
"a": 179.938,
"b": 179.938,
"c": 179.938,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97850],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.00,2.50],
"number_observations": 304765,
"number_observations_unique": 9128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 7.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 33.4
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.54,2.50],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.512
},
{
"type": "R(meas)",
"value": 0.520
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.1
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.59,2.54],
"number_observations_unique": 431,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.446
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.1
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.64,2.59],
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.368
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.0
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.69,2.64],
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.371
},
{
"type": "R(meas)",
"value": 0.377
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.0
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.75,2.69],
"number_observations_unique": 454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "R(meas)",
"value": 0.315
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 30.8
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.82,2.75],
"number_observations_unique": 443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.290
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.5
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.89,2.82],
"number_observations_unique": 433,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.242
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 34.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.96,2.89],
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.230
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.4
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.05,2.96],
"number_observations_unique": 439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "R(meas)",
"value": 0.199
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.15,3.05],
"number_observations_unique": 452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.6
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.26,3.15],
"number_observations_unique": 453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.8
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.39,3.26],
"number_observations_unique": 445,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.5
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.55,3.39],
"number_observations_unique": 450,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.2
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.73,3.55],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 32.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.97,3.73],
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.0
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.27,3.97],
"number_observations_unique": 462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 36.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.70,4.27],
"number_observations_unique": 463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 35.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.38,4.70],
"number_observations_unique": 472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 30.6
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.78,5.38],
"number_observations_unique": 490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 33.2
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.00,6.78],
"number_observations_unique": 546,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 28.0
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}