Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "15a91ff5bfaeab6f59e04d3bb0465563",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 219.007,
"b": 46.955,
"c": 88.973,
"alpha": 90.00,
"beta": 110.62,
"gamma": 90.00
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.27,2.500],
"number_observations": 110331,
"number_observations_unique": 29674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 7.470
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.718
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.570,2.500],
"number_observations": 8127,
"number_observations_unique": 2153,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.290
},
{
"type": "R(meas)",
"value": 2.663
},
{
"type": "I/SigI",
"value": 0.570
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.775
},
{
"type": "CC(1/2)",
"value": 0.255
}
]
},
{
"resolution_limits": [2.640,2.570],
"number_observations": 8350,
"number_observations_unique": 2138,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.603
},
{
"type": "R(meas)",
"value": 1.854
},
{
"type": "I/SigI",
"value": 0.830
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.906
},
{
"type": "CC(1/2)",
"value": 0.398
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 7963,
"number_observations_unique": 2055,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.296
},
{
"type": "R(meas)",
"value": 1.500
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.875
},
{
"type": "CC(1/2)",
"value": 0.607
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 7685,
"number_observations_unique": 2016,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.054
},
{
"type": "R(meas)",
"value": 1.224
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.812
},
{
"type": "CC(1/2)",
"value": 0.591
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 7243,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.815
},
{
"type": "R(meas)",
"value": 0.951
},
{
"type": "I/SigI",
"value": 1.730
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.741
},
{
"type": "CC(1/2)",
"value": 0.702
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 6717,
"number_observations_unique": 1879,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.702
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.575
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 6499,
"number_observations_unique": 1831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.404
},
{
"type": "R(meas)",
"value": 0.475
},
{
"type": "I/SigI",
"value": 3.250
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.549
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 6810,
"number_observations_unique": 1744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.371
},
{
"type": "I/SigI",
"value": 4.340
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.905
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 6572,
"number_observations_unique": 1702,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 5.770
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.861
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 6068,
"number_observations_unique": 1598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(meas)",
"value": 0.191
},
{
"type": "I/SigI",
"value": 7.820
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.797
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 5782,
"number_observations_unique": 1549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 9.960
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.733
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 4945,
"number_observations_unique": 1437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "I/SigI",
"value": 11.730
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.441
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 4962,
"number_observations_unique": 1363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.480
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.640
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 4777,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 17.510
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.788
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 4361,
"number_observations_unique": 1180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 18.120
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.696
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 3792,
"number_observations_unique": 1070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 17.880
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.544
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 3291,
"number_observations_unique": 946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 17.080
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.479
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 2998,
"number_observations_unique": 809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 20.060
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.706
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 2146,
"number_observations_unique": 639,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.358
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [83.270,11.180],
"number_observations": 1243,
"number_observations_unique": 368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 24.080
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.378
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}