Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "affebfc69e91df15853e7bc29d70b999",
"space_group_name": "P 41 21 2",
"unit_cell": {
"a": 43.747,
"b": 43.747,
"c": 245.522,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07810],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.210,1.450],
"number_observations_unique": 43568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.779
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.490,1.450],
"number_observations_unique": 3025,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.337
},
{
"type": "R(meas)",
"value": 1.484
},
{
"type": "I/SigI",
"value": 1.260
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 5.225
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [1.530,1.490],
"number_observations_unique": 3083,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.125
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "I/SigI",
"value": 2.170
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 7.994
},
{
"type": "CC(1/2)",
"value": 0.923
}
]
},
{
"resolution_limits": [1.580,1.530],
"number_observations_unique": 3005,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.354
},
{
"type": "R(meas)",
"value": 1.436
},
{
"type": "I/SigI",
"value": 1.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.965
},
{
"type": "CC(1/2)",
"value": 0.776
}
]
},
{
"resolution_limits": [1.620,1.580],
"number_observations_unique": 2929,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.132
},
{
"type": "R(meas)",
"value": 1.199
},
{
"type": "I/SigI",
"value": 2.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.023
},
{
"type": "CC(1/2)",
"value": 0.801
}
]
},
{
"resolution_limits": [1.680,1.620],
"number_observations_unique": 2824,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.930
},
{
"type": "R(meas)",
"value": 0.984
},
{
"type": "I/SigI",
"value": 2.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.161
},
{
"type": "CC(1/2)",
"value": 0.857
}
]
},
{
"resolution_limits": [1.740,1.680],
"number_observations_unique": 2711,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.814
},
{
"type": "R(meas)",
"value": 0.862
},
{
"type": "I/SigI",
"value": 3.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.221
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [1.800,1.740],
"number_observations_unique": 2651,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.592
},
{
"type": "R(meas)",
"value": 0.626
},
{
"type": "I/SigI",
"value": 4.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.308
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [1.870,1.800],
"number_observations_unique": 2579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.475
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "I/SigI",
"value": 5.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.336
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
},
{
"resolution_limits": [1.960,1.870],
"number_observations_unique": 2461,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.358
},
{
"type": "R(meas)",
"value": 0.379
},
{
"type": "I/SigI",
"value": 7.080
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.333
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
{
"resolution_limits": [2.050,1.960],
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 10.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.272
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.160,2.050],
"number_observations_unique": 2262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "I/SigI",
"value": 14.950
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.376
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.300,2.160],
"number_observations_unique": 2162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "I/SigI",
"value": 18.590
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.336
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.450,2.300],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 22.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.285
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.650,2.450],
"number_observations_unique": 1882,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 30.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.900,2.650],
"number_observations_unique": 1767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 33.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.176
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.250,2.900],
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 42.830
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.132
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.750,3.250],
"number_observations_unique": 1430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 56.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.889
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.590,3.750],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 63.960
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.623
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [6.490,4.590],
"number_observations_unique": 997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 58.890
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.362
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [41.210,6.490],
"number_observations_unique": 605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 59.810
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.929
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}