Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde4366f943f24c4b86323e6fbc66ce3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 73.769,
"b": 90.055,
"c": 95.718,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03317],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [65.59,1.57],
"number_observations": 601685,
"number_observations_unique": 88647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.1
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [65.65,4.26],
"number_observations": 32034,
"number_observations_unique": 4774,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 59.4
},
{
"type": "Completeness",
"value": 99.3
},
{
"type": "Redundancy",
"value": 6.71
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.26,3.38],
"number_observations": 33483,
"number_observations_unique": 4583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 53.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.31
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.38,2.95],
"number_observations": 34030,
"number_observations_unique": 4532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 34.5
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.51
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.95,2.68],
"number_observations": 28598,
"number_observations_unique": 4490,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 21.6
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.37
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.68,2.49],
"number_observations": 31519,
"number_observations_unique": 4491,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.8
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 7.02
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.49,2.35],
"number_observations": 32221,
"number_observations_unique": 4468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 11.5
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 7.21
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.35,2.23],
"number_observations": 32650,
"number_observations_unique": 4473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 9.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.30
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.23,2.13],
"number_observations": 33143,
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.41
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.13,2.05],
"number_observations": 32642,
"number_observations_unique": 4438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.214
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 5.4
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.36
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.05,1.98],
"number_observations": 27706,
"number_observations_unique": 4466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 4.0
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.20
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.98,1.92],
"number_observations": 29157,
"number_observations_unique": 4409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.291
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 6.61
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [1.92,1.86],
"number_observations": 30270,
"number_observations_unique": 4470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.402
},
{
"type": "R(meas)",
"value": 0.435
},
{
"type": "R(pim)",
"value": 0.165
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 6.77
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
{
"resolution_limits": [1.86,1.81],
"number_observations": 30134,
"number_observations_unique": 4391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.210
},
{
"type": "I/SigI",
"value": 1.6
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.86
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [1.81,1.77],
"number_observations": 31188,
"number_observations_unique": 4432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.711
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.04
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [1.77,1.73],
"number_observations": 32051,
"number_observations_unique": 4416,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.886
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 7.26
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [1.73,1.69],
"number_observations": 32001,
"number_observations_unique": 4435,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.057
},
{
"type": "R(meas)",
"value": 1.139
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 0.7
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.22
},
{
"type": "CC(1/2)",
"value": 0.785
}
]
},
{
"resolution_limits": [1.69,1.66],
"number_observations": 31377,
"number_observations_unique": 4413,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.331
},
{
"type": "R(meas)",
"value": 1.437
},
{
"type": "R(pim)",
"value": 0.535
},
{
"type": "I/SigI",
"value": 0.6
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 7.11
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [1.66,1.63],
"number_observations": 27884,
"number_observations_unique": 4420,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.582
},
{
"type": "R(meas)",
"value": 1.724
},
{
"type": "R(pim)",
"value": 0.675
},
{
"type": "I/SigI",
"value": 0.4
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 6.31
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [1.63,1.60],
"number_observations": 21590,
"number_observations_unique": 4177,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.816
},
{
"type": "R(meas)",
"value": 2.021
},
{
"type": "R(pim)",
"value": 0.862
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Completeness",
"value": 94.8
},
{
"type": "Redundancy",
"value": 5.17
},
{
"type": "CC(1/2)",
"value": 0.464
}
]
},
{
"resolution_limits": [1.60,1.57],
"number_observations": 18007,
"number_observations_unique": 3897,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.016
},
{
"type": "R(meas)",
"value": 2.275
},
{
"type": "R(pim)",
"value": 1.020
},
{
"type": "I/SigI",
"value": 0.3
},
{
"type": "Completeness",
"value": 89.0
},
{
"type": "Redundancy",
"value": 4.62
},
{
"type": "CC(1/2)",
"value": 0.377
}
]
}
]
}