Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "18fbbd5120105d38f32bf430b7b90ba7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 94.13,
"b": 41.08,
"c": 56.39,
"alpha": 90.0,
"beta": 122.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.820,1.300],
"number_observations": 289866,
"number_observations_unique": 43728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 25.360
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.629
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.300],
"number_observations": 12993,
"number_observations_unique": 2462,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.653
},
{
"type": "I/SigI",
"value": 2.810
},
{
"type": "Completeness",
"value": 73.500
},
{
"type": "Redundancy",
"value": 5.277
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.370,1.330],
"number_observations": 17726,
"number_observations_unique": 2975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.509
},
{
"type": "R(meas)",
"value": 0.558
},
{
"type": "I/SigI",
"value": 3.630
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 5.958
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [1.410,1.370],
"number_observations": 20638,
"number_observations_unique": 3127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.437
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [1.450,1.410],
"number_observations": 20623,
"number_observations_unique": 3035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.327
},
{
"type": "R(meas)",
"value": 0.355
},
{
"type": "I/SigI",
"value": 6.610
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.795
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [1.500,1.450],
"number_observations": 20135,
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.228
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 9.260
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [1.550,1.500],
"number_observations": 19427,
"number_observations_unique": 2869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 11.160
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.771
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.610,1.550],
"number_observations": 18238,
"number_observations_unique": 2754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 13.360
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.622
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [1.680,1.610],
"number_observations": 16327,
"number_observations_unique": 2514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "I/SigI",
"value": 15.750
},
{
"type": "Completeness",
"value": 95.100
},
{
"type": "Redundancy",
"value": 6.494
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [1.750,1.680],
"number_observations": 18113,
"number_observations_unique": 2556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 19.290
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.086
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.840,1.750],
"number_observations": 17488,
"number_observations_unique": 2465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 22.370
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.095
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.940,1.840],
"number_observations": 16100,
"number_observations_unique": 2323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.931
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.060,1.940],
"number_observations": 15211,
"number_observations_unique": 2219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 33.270
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.855
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.200,2.060],
"number_observations": 13508,
"number_observations_unique": 2047,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.490
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.599
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.370,2.200],
"number_observations": 11861,
"number_observations_unique": 1898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 45.580
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.249
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.600,2.370],
"number_observations": 12877,
"number_observations_unique": 1793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 55.290
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 7.182
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.910,2.600],
"number_observations": 11399,
"number_observations_unique": 1616,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 60.290
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.054
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [3.360,2.910],
"number_observations": 9688,
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 65.610
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.813
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [4.110,3.360],
"number_observations": 7845,
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 77.910
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.441
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [5.810,4.110],
"number_observations": 6084,
"number_observations_unique": 943,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 83.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.452
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [47.820,5.810],
"number_observations": 3585,
"number_observations_unique": 542,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 88.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.614
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}