Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7b7193172b979d11e3aa65ea3769d812",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.278,
"b": 53.731,
"c": 75.022,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70001],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.51,1.000],
"number_observations": 466036,
"number_observations_unique": 71350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 18.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.550
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.000],
"number_observations": 34126,
"number_observations_unique": 5201,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.271
},
{
"type": "R(meas)",
"value": 1.381
},
{
"type": "I/SigI",
"value": 1.410
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.561
},
{
"type": "CC(1/2)",
"value": 0.596
}
]
},
{
"resolution_limits": [1.050,1.030],
"number_observations": 32949,
"number_observations_unique": 5063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.955
},
{
"type": "R(meas)",
"value": 1.038
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.508
},
{
"type": "CC(1/2)",
"value": 0.760
}
]
},
{
"resolution_limits": [1.080,1.050],
"number_observations": 31122,
"number_observations_unique": 4944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.685
},
{
"type": "R(meas)",
"value": 0.747
},
{
"type": "I/SigI",
"value": 2.640
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.295
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [1.120,1.080],
"number_observations": 30361,
"number_observations_unique": 4813,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "R(meas)",
"value": 0.520
},
{
"type": "I/SigI",
"value": 3.810
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.308
},
{
"type": "CC(1/2)",
"value": 0.913
}
]
},
{
"resolution_limits": [1.150,1.120],
"number_observations": 31488,
"number_observations_unique": 4671,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.395
},
{
"type": "I/SigI",
"value": 5.060
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.741
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [1.200,1.150],
"number_observations": 30151,
"number_observations_unique": 4516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.311
},
{
"type": "R(meas)",
"value": 0.337
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.676
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 28422,
"number_observations_unique": 4333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 6.660
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.559
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [1.290,1.240],
"number_observations": 26249,
"number_observations_unique": 4209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 7.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.236
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.350,1.290],
"number_observations": 26308,
"number_observations_unique": 4019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 9.490
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.546
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.410,1.350],
"number_observations": 26372,
"number_observations_unique": 3872,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 11.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.811
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.490,1.410],
"number_observations": 24814,
"number_observations_unique": 3674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.754
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [1.580,1.490],
"number_observations": 23036,
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 19.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.602
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.690,1.580],
"number_observations": 20473,
"number_observations_unique": 3296,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 24.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.211
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.830,1.690],
"number_observations": 21318,
"number_observations_unique": 3072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 33.980
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.939
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.000,1.830],
"number_observations": 19394,
"number_observations_unique": 2844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.819
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.240,2.000],
"number_observations": 16876,
"number_observations_unique": 2576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 58.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.551
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.580,2.240],
"number_observations": 14283,
"number_observations_unique": 2306,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 67.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.194
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.160,2.580],
"number_observations": 13258,
"number_observations_unique": 1971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 83.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.727
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.470,3.160],
"number_observations": 9468,
"number_observations_unique": 1554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.014
},
{
"type": "R(meas)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 100.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.093
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [37.500,4.470],
"number_observations": 5568,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.013
},
{
"type": "R(meas)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 102.110
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.033
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}