Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32cbcb90159a787df8ed9e7c0b7da495",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.348,
"b": 92.166,
"c": 120.549,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99998],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.08,2.000],
"number_observations": 420729,
"number_observations_unique": 63538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 11.080
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.622
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 31472,
"number_observations_unique": 4619,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.765
},
{
"type": "R(meas)",
"value": 1.910
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.814
},
{
"type": "CC(1/2)",
"value": 0.518
}
]
},
{
"resolution_limits": [2.110,2.050],
"number_observations": 29238,
"number_observations_unique": 4490,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.457
},
{
"type": "R(meas)",
"value": 1.584
},
{
"type": "I/SigI",
"value": 1.540
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.512
},
{
"type": "CC(1/2)",
"value": 0.564
}
]
},
{
"resolution_limits": [2.170,2.110],
"number_observations": 28625,
"number_observations_unique": 4387,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.132
},
{
"type": "R(meas)",
"value": 1.230
},
{
"type": "I/SigI",
"value": 1.960
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.525
},
{
"type": "CC(1/2)",
"value": 0.692
}
]
},
{
"resolution_limits": [2.240,2.170],
"number_observations": 29630,
"number_observations_unique": 4246,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(meas)",
"value": 1.230
},
{
"type": "I/SigI",
"value": 2.030
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.978
},
{
"type": "CC(1/2)",
"value": 0.778
}
]
},
{
"resolution_limits": [2.310,2.240],
"number_observations": 28654,
"number_observations_unique": 4125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.719
},
{
"type": "R(meas)",
"value": 0.777
},
{
"type": "I/SigI",
"value": 3.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.946
},
{
"type": "CC(1/2)",
"value": 0.823
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 27283,
"number_observations_unique": 4006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.586
},
{
"type": "R(meas)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 3.920
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.811
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [2.480,2.390],
"number_observations": 25958,
"number_observations_unique": 3899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "I/SigI",
"value": 4.760
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.658
},
{
"type": "CC(1/2)",
"value": 0.919
}
]
},
{
"resolution_limits": [2.580,2.480],
"number_observations": 23716,
"number_observations_unique": 3724,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.360
},
{
"type": "R(meas)",
"value": 0.393
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.368
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.700,2.580],
"number_observations": 23915,
"number_observations_unique": 3602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.639
},
{
"type": "CC(1/2)",
"value": 0.965
}
]
},
{
"resolution_limits": [2.830,2.700],
"number_observations": 24015,
"number_observations_unique": 3449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.218
},
{
"type": "I/SigI",
"value": 10.240
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.963
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.980,2.830],
"number_observations": 22771,
"number_observations_unique": 3310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.170
},
{
"type": "I/SigI",
"value": 12.630
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.879
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.160,2.980],
"number_observations": 20757,
"number_observations_unique": 3101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 15.660
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.694
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [3.380,3.160],
"number_observations": 18483,
"number_observations_unique": 2950,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 19.190
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.265
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.650,3.380],
"number_observations": 17902,
"number_observations_unique": 2737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 22.330
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.541
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.000,3.650],
"number_observations": 17038,
"number_observations_unique": 2564,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 26.240
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.645
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.470,4.000],
"number_observations": 14781,
"number_observations_unique": 2320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 30.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.371
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.160,4.470],
"number_observations": 11972,
"number_observations_unique": 2044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 30.810
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.857
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.320,5.160],
"number_observations": 11375,
"number_observations_unique": 1761,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.459
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.940,6.320],
"number_observations": 8426,
"number_observations_unique": 1394,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 33.330
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.044
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.080,8.940],
"number_observations": 4718,
"number_observations_unique": 810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 38.440
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.825
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}