Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "16fc0ceadee85278fd549e277d286307",
"space_group_name": "H 3 2",
"unit_cell": {
"a": 138.78,
"b": 138.78,
"c": 159.14,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.219,2.450],
"number_observations_unique": 21583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 14.720
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 4.547
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations_unique": 1590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.559
},
{
"type": "I/SigI",
"value": 2.850
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.168
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.580,2.510],
"number_observations_unique": 1530,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.410
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.556
},
{
"type": "CC(1/2)",
"value": 0.921
}
]
},
{
"resolution_limits": [2.660,2.580],
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.365
},
{
"type": "R(meas)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 4.030
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.780
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [2.740,2.660],
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "R(meas)",
"value": 0.366
},
{
"type": "I/SigI",
"value": 4.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.775
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [2.830,2.740],
"number_observations_unique": 1449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.263
},
{
"type": "R(meas)",
"value": 0.295
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.754
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.930,2.830],
"number_observations_unique": 1349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 6.590
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.650
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.040,2.930],
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.188
},
{
"type": "I/SigI",
"value": 8.420
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.641
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.160,3.040],
"number_observations_unique": 1287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 10.230
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.716
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.300,3.160],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 12.030
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.607
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.460,3.300],
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.486
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.650,3.460],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 17.580
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.074
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.870,3.650],
"number_observations_unique": 1035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "I/SigI",
"value": 20.630
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.285
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.140,3.870],
"number_observations_unique": 999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 26.620
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.746
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.470,4.140],
"number_observations_unique": 931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 29.230
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 4.224
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.900,4.470],
"number_observations_unique": 844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 32.920
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.655
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.480,4.900],
"number_observations_unique": 772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.684
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.330,5.480],
"number_observations_unique": 695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 30.410
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.548
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.750,6.330],
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 34.170
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 4.131
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [10.960,7.750],
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 47.030
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.768
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [56.219,10.960],
"number_observations_unique": 260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 48.940
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 4.331
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}