Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b317f7fabc2489e24ad49fcb5ef52f3",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 32.224,
"b": 52.943,
"c": 72.326,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.72,1.120],
"number_observations": 290076,
"number_observations_unique": 47981,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "I/SigI",
"value": 10.770
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.080
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.150,1.120],
"number_observations": 14451,
"number_observations_unique": 3185,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.148
},
{
"type": "R(meas)",
"value": 1.293
},
{
"type": "I/SigI",
"value": 1.390
},
{
"type": "Completeness",
"value": 89.400
},
{
"type": "Redundancy",
"value": 4.537
},
{
"type": "CC(1/2)",
"value": 0.412
}
]
},
{
"resolution_limits": [1.180,1.150],
"number_observations": 19946,
"number_observations_unique": 3381,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.039
},
{
"type": "R(meas)",
"value": 1.140
},
{
"type": "I/SigI",
"value": 1.910
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.899
},
{
"type": "CC(1/2)",
"value": 0.577
}
]
},
{
"resolution_limits": [1.220,1.180],
"number_observations": 19416,
"number_observations_unique": 3328,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.923
},
{
"type": "R(meas)",
"value": 1.014
},
{
"type": "I/SigI",
"value": 2.160
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.834
},
{
"type": "CC(1/2)",
"value": 0.634
}
]
},
{
"resolution_limits": [1.250,1.220],
"number_observations": 18574,
"number_observations_unique": 3253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.825
},
{
"type": "R(meas)",
"value": 0.909
},
{
"type": "I/SigI",
"value": 2.420
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.710
},
{
"type": "CC(1/2)",
"value": 0.690
}
]
},
{
"resolution_limits": [1.290,1.250],
"number_observations": 19524,
"number_observations_unique": 3165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.717
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "I/SigI",
"value": 2.850
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.169
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [1.340,1.290],
"number_observations": 18599,
"number_observations_unique": 3046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.591
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.106
},
{
"type": "CC(1/2)",
"value": 0.838
}
]
},
{
"resolution_limits": [1.390,1.340],
"number_observations": 17415,
"number_observations_unique": 2936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.477
},
{
"type": "R(meas)",
"value": 0.522
},
{
"type": "I/SigI",
"value": 4.240
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.932
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.450,1.390],
"number_observations": 16792,
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 5.680
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.921
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [1.510,1.450],
"number_observations": 18037,
"number_observations_unique": 2744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.289
},
{
"type": "R(meas)",
"value": 0.314
},
{
"type": "I/SigI",
"value": 7.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.573
},
{
"type": "CC(1/2)",
"value": 0.963
}
]
},
{
"resolution_limits": [1.580,1.510],
"number_observations": 17177,
"number_observations_unique": 2602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 10.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.601
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [1.670,1.580],
"number_observations": 16299,
"number_observations_unique": 2516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 12.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.478
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.770,1.670],
"number_observations": 14347,
"number_observations_unique": 2363,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.137
},
{
"type": "I/SigI",
"value": 14.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.072
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.890,1.770],
"number_observations": 15042,
"number_observations_unique": 2233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 20.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.736
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.050,1.890],
"number_observations": 13716,
"number_observations_unique": 2083,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 26.210
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.585
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.240,2.050],
"number_observations": 12249,
"number_observations_unique": 1922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 29.990
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.373
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.510,2.240],
"number_observations": 10149,
"number_observations_unique": 1760,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 31.040
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.766
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.890,2.510],
"number_observations": 10240,
"number_observations_unique": 1555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 37.540
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.585
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.540,2.890],
"number_observations": 8305,
"number_observations_unique": 1333,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 42.620
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.230
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.010,3.540],
"number_observations": 5902,
"number_observations_unique": 1058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 43.640
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.578
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.720,5.010],
"number_observations": 3896,
"number_observations_unique": 640,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 45.390
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.088
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}