Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0367959d72e86d264e89d794308c6f48",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.568,
"b": 53.610,
"c": 74.805,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.40,1.000],
"number_observations": 465638,
"number_observations_unique": 71536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 18.320
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.509
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.030,1.000],
"number_observations": 32842,
"number_observations_unique": 5228,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.189
},
{
"type": "R(meas)",
"value": 1.297
},
{
"type": "I/SigI",
"value": 1.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.282
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [1.050,1.030],
"number_observations": 31152,
"number_observations_unique": 5097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(meas)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 2.230
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.112
},
{
"type": "CC(1/2)",
"value": 0.781
}
]
},
{
"resolution_limits": [1.080,1.050],
"number_observations": 33265,
"number_observations_unique": 4961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.636
},
{
"type": "I/SigI",
"value": 3.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.705
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.120,1.080],
"number_observations": 32224,
"number_observations_unique": 4825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.425
},
{
"type": "R(meas)",
"value": 0.461
},
{
"type": "I/SigI",
"value": 4.580
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.679
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.150,1.120],
"number_observations": 30526,
"number_observations_unique": 4629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.319
},
{
"type": "R(meas)",
"value": 0.346
},
{
"type": "I/SigI",
"value": 5.940
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.595
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [1.200,1.150],
"number_observations": 28956,
"number_observations_unique": 4526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.286
},
{
"type": "I/SigI",
"value": 6.940
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.398
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [1.240,1.200],
"number_observations": 27576,
"number_observations_unique": 4366,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.224
},
{
"type": "R(meas)",
"value": 0.244
},
{
"type": "I/SigI",
"value": 8.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.316
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [1.290,1.240],
"number_observations": 28677,
"number_observations_unique": 4207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "I/SigI",
"value": 9.650
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.816
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [1.350,1.290],
"number_observations": 27307,
"number_observations_unique": 4040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 11.650
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.759
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [1.410,1.350],
"number_observations": 26117,
"number_observations_unique": 3906,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 14.040
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.686
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.490,1.410],
"number_observations": 23598,
"number_observations_unique": 3693,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 17.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.390
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.580,1.490],
"number_observations": 22341,
"number_observations_unique": 3477,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 21.890
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.425
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.690,1.580],
"number_observations": 22783,
"number_observations_unique": 3292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 28.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.921
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [1.830,1.690],
"number_observations": 21002,
"number_observations_unique": 3092,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 34.820
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.792
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.000,1.830],
"number_observations": 18702,
"number_observations_unique": 2847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.569
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.240,2.000],
"number_observations": 15232,
"number_observations_unique": 2591,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 48.910
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.879
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.580,2.240],
"number_observations": 15511,
"number_observations_unique": 2295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 57.750
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.759
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.160,2.580],
"number_observations": 12979,
"number_observations_unique": 1979,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 63.670
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.558
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.470,3.160],
"number_observations": 9024,
"number_observations_unique": 1563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 66.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.774
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [37.400,4.470],
"number_observations": 5824,
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 70.340
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.317
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}