Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7b8f02681e2b7cbe2741c66b734b5df",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 110.75,
"b": 110.75,
"c": 110.05,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.1650,1.950],
"number_observations": 522083,
"number_observations_unique": 50463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 23.210
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 39301,
"number_observations_unique": 3678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.569
},
{
"type": "R(meas)",
"value": 0.597
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 38210,
"number_observations_unique": 3573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.413
},
{
"type": "I/SigI",
"value": 6.610
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 37092,
"number_observations_unique": 3483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.350
},
{
"type": "I/SigI",
"value": 7.880
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 35974,
"number_observations_unique": 3391,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.289
},
{
"type": "I/SigI",
"value": 9.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 34834,
"number_observations_unique": 3287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 10.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [2.330,2.250],
"number_observations": 33431,
"number_observations_unique": 3183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.420,2.330],
"number_observations": 32175,
"number_observations_unique": 3074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 15.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.520,2.420],
"number_observations": 30911,
"number_observations_unique": 2974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.135
},
{
"type": "R(meas)",
"value": 0.141
},
{
"type": "I/SigI",
"value": 18.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.630,2.520],
"number_observations": 29386,
"number_observations_unique": 2836,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "R(meas)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 20.430
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.760,2.630],
"number_observations": 28148,
"number_observations_unique": 2733,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.910,2.760],
"number_observations": 26580,
"number_observations_unique": 2613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 28.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.080,2.910],
"number_observations": 24885,
"number_observations_unique": 2459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 32.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.300,3.080],
"number_observations": 23464,
"number_observations_unique": 2329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 36.790
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.560,3.300],
"number_observations": 21815,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 42.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.900,3.560],
"number_observations": 20174,
"number_observations_unique": 2011,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 45.970
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.360,3.900],
"number_observations": 18486,
"number_observations_unique": 1838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 50.550
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.030,4.360],
"number_observations": 16639,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 52.830
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.170,5.030],
"number_observations": 14152,
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 50.330
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.720,6.170],
"number_observations": 10875,
"number_observations_unique": 1117,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 53.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [45.1650,8.720],
"number_observations": 5551,
"number_observations_unique": 658,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 52.480
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}