Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "80647c11d9dbf8614e9c5c8940142a02",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.575,
"b": 53.988,
"c": 75.411,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.70000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.90,1.080],
"number_observations": 378766,
"number_observations_unique": 57525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 13.240
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.490
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.110,1.080],
"number_observations": 27851,
"number_observations_unique": 4143,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.137
},
{
"type": "I/SigI",
"value": 1.760
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.722
},
{
"type": "CC(1/2)",
"value": 0.669
}
]
},
{
"resolution_limits": [1.140,1.110],
"number_observations": 27032,
"number_observations_unique": 4046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.823
},
{
"type": "R(meas)",
"value": 0.892
},
{
"type": "I/SigI",
"value": 2.270
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.681
},
{
"type": "CC(1/2)",
"value": 0.773
}
]
},
{
"resolution_limits": [1.170,1.140],
"number_observations": 26163,
"number_observations_unique": 3983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.748
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.569
},
{
"type": "CC(1/2)",
"value": 0.820
}
]
},
{
"resolution_limits": [1.210,1.170],
"number_observations": 23299,
"number_observations_unique": 3844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 3.040
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.061
},
{
"type": "CC(1/2)",
"value": 0.847
}
]
},
{
"resolution_limits": [1.250,1.210],
"number_observations": 24213,
"number_observations_unique": 3740,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.554
},
{
"type": "I/SigI",
"value": 3.610
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.474
},
{
"type": "CC(1/2)",
"value": 0.884
}
]
},
{
"resolution_limits": [1.290,1.250],
"number_observations": 25256,
"number_observations_unique": 3623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.472
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.971
},
{
"type": "CC(1/2)",
"value": 0.934
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations": 24201,
"number_observations_unique": 3496,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.372
},
{
"type": "R(meas)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 5.140
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.922
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 23219,
"number_observations_unique": 3384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.320
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 5.950
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.861
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.460,1.390],
"number_observations": 22071,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.252
},
{
"type": "R(meas)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 7.390
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.785
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [1.530,1.460],
"number_observations": 20930,
"number_observations_unique": 3117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.225
},
{
"type": "I/SigI",
"value": 8.670
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.715
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [1.610,1.530],
"number_observations": 19071,
"number_observations_unique": 2983,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 11.790
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.393
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.710,1.610],
"number_observations": 16615,
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 13.660
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.836
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.830,1.710],
"number_observations": 17600,
"number_observations_unique": 2652,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 18.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.637
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.970,1.830],
"number_observations": 17226,
"number_observations_unique": 2494,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 26.550
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.907
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.160,1.970],
"number_observations": 15847,
"number_observations_unique": 2322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 34.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.410,2.160],
"number_observations": 13806,
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 39.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.641
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.790,2.410],
"number_observations": 11804,
"number_observations_unique": 1853,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 44.830
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.370
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.420,2.790],
"number_observations": 9122,
"number_observations_unique": 1615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 51.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.648
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.830,3.420],
"number_observations": 8703,
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 68.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.847
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [43.900,4.830],
"number_observations": 4737,
"number_observations_unique": 751,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 64.110
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.308
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}