Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c51b7ec32d1dc787b7ed4cf138b016e0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.03,
"b": 158.02,
"c": 180.88,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.010,3.100],
"number_observations": 367126,
"number_observations_unique": 54710,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 14.780
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.710
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.180,3.100],
"number_observations": 27658,
"number_observations_unique": 3976,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.273
},
{
"type": "R(meas)",
"value": 2.456
},
{
"type": "I/SigI",
"value": 0.840
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.956
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [3.270,3.180],
"number_observations": 27167,
"number_observations_unique": 3936,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.714
},
{
"type": "R(meas)",
"value": 1.853
},
{
"type": "I/SigI",
"value": 1.120
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.902
},
{
"type": "CC(1/2)",
"value": 0.534
}
]
},
{
"resolution_limits": [3.360,3.270],
"number_observations": 25446,
"number_observations_unique": 3789,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.261
},
{
"type": "R(meas)",
"value": 1.367
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.716
},
{
"type": "CC(1/2)",
"value": 0.672
}
]
},
{
"resolution_limits": [3.470,3.360],
"number_observations": 23193,
"number_observations_unique": 3657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.905
},
{
"type": "R(meas)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 2.040
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.342
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [3.580,3.470],
"number_observations": 23807,
"number_observations_unique": 3592,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.698
},
{
"type": "R(meas)",
"value": 0.758
},
{
"type": "I/SigI",
"value": 2.690
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.628
},
{
"type": "CC(1/2)",
"value": 0.858
}
]
},
{
"resolution_limits": [3.710,3.580],
"number_observations": 22649,
"number_observations_unique": 3415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.501
},
{
"type": "R(meas)",
"value": 0.543
},
{
"type": "I/SigI",
"value": 3.770
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.632
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [3.850,3.710],
"number_observations": 24054,
"number_observations_unique": 3370,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.335
},
{
"type": "R(meas)",
"value": 0.361
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.138
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [4.000,3.850],
"number_observations": 22726,
"number_observations_unique": 3207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 7.850
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.086
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [4.180,4.000],
"number_observations": 21640,
"number_observations_unique": 3095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "I/SigI",
"value": 10.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.992
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [4.380,4.180],
"number_observations": 20460,
"number_observations_unique": 2964,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 14.140
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.903
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.620,4.380],
"number_observations": 19098,
"number_observations_unique": 2816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 19.480
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.782
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.900,4.620],
"number_observations": 17361,
"number_observations_unique": 2676,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 21.870
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.488
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.240,4.900],
"number_observations": 15553,
"number_observations_unique": 2540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 22.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.123
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.660,5.240],
"number_observations": 15167,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 23.850
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.451
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.200,5.660],
"number_observations": 15144,
"number_observations_unique": 2172,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 27.450
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.972
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.930,6.200],
"number_observations": 13751,
"number_observations_unique": 2009,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.845
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.000,6.930],
"number_observations": 11511,
"number_observations_unique": 1757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 42.320
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.552
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.800,8.000],
"number_observations": 8948,
"number_observations_unique": 1497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 57.090
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.977
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [13.860,9.800],
"number_observations": 7517,
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 68.370
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.254
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [79.010,13.860],
"number_observations": 4276,
"number_observations_unique": 689,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 73.420
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.206
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}