Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aeef9432773fd5be6730cbe35d48011b",
"space_group_name": "I 41",
"unit_cell": {
"a": 104.42,
"b": 104.42,
"c": 164.27,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97938],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.890,4.100],
"number_observations": 52247,
"number_observations_unique": 6904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 17.450
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.568
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [4.210,4.100],
"number_observations": 3542,
"number_observations_unique": 504,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.684
},
{
"type": "R(meas)",
"value": 0.738
},
{
"type": "I/SigI",
"value": 2.740
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 7.028
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [4.320,4.210],
"number_observations": 3873,
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.409
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 4.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.002
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.450,4.320],
"number_observations": 3861,
"number_observations_unique": 486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.305
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 6.190
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.944
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [4.580,4.450],
"number_observations": 3742,
"number_observations_unique": 475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 7.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.878
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [4.730,4.580],
"number_observations": 3594,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 8.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.864
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.900,4.730],
"number_observations": 3192,
"number_observations_unique": 420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [5.080,4.900],
"number_observations": 3128,
"number_observations_unique": 432,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.197
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.241
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [5.290,5.080],
"number_observations": 3194,
"number_observations_unique": 425,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 10.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.515
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.530,5.290],
"number_observations": 3099,
"number_observations_unique": 387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 12.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.008
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.800,5.530],
"number_observations": 3058,
"number_observations_unique": 384,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 12.720
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.964
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [6.110,5.800],
"number_observations": 2720,
"number_observations_unique": 351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 16.940
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.749
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [6.480,6.110],
"number_observations": 2618,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 22.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.588
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [6.930,6.480],
"number_observations": 2173,
"number_observations_unique": 315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 27.870
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.898
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.480,6.930],
"number_observations": 2332,
"number_observations_unique": 295,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 33.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.905
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.200,7.480],
"number_observations": 2060,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 41.240
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.687
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.170,8.200],
"number_observations": 1859,
"number_observations_unique": 257,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 44.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.233
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.580,9.170],
"number_observations": 1448,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 47.010
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.704
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [12.960,10.580],
"number_observations": 1360,
"number_observations_unique": 184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 49.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.391
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [18.330,12.960],
"number_observations": 1048,
"number_observations_unique": 152,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 48.850
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.895
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [35.890,18.330],
"number_observations": 346,
"number_observations_unique": 67,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 42.790
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 5.164
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}