Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb56aa1e8c334931a7f3c689763aa202",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 44.574,
"b": 59.125,
"c": 163.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00005],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [59.12,2.070],
"number_observations": 175042,
"number_observations_unique": 27202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 16.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.435
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 13550,
"number_observations_unique": 2025,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.953
},
{
"type": "R(meas)",
"value": 3.202
},
{
"type": "I/SigI",
"value": 0.620
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.691
},
{
"type": "CC(1/2)",
"value": 0.214
}
]
},
{
"resolution_limits": [2.180,2.120],
"number_observations": 12725,
"number_observations_unique": 1910,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.983
},
{
"type": "R(meas)",
"value": 2.151
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.662
},
{
"type": "CC(1/2)",
"value": 0.351
}
]
},
{
"resolution_limits": [2.250,2.180],
"number_observations": 11706,
"number_observations_unique": 1865,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.390
},
{
"type": "R(meas)",
"value": 1.517
},
{
"type": "I/SigI",
"value": 1.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.277
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [2.310,2.250],
"number_observations": 11899,
"number_observations_unique": 1814,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.884
},
{
"type": "R(meas)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 2.070
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.560
},
{
"type": "CC(1/2)",
"value": 0.723
}
]
},
{
"resolution_limits": [2.390,2.310],
"number_observations": 12054,
"number_observations_unique": 1756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.647
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.864
},
{
"type": "CC(1/2)",
"value": 0.854
}
]
},
{
"resolution_limits": [2.470,2.390],
"number_observations": 11816,
"number_observations_unique": 1739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.446
},
{
"type": "R(meas)",
"value": 0.483
},
{
"type": "I/SigI",
"value": 4.120
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.795
},
{
"type": "CC(1/2)",
"value": 0.933
}
]
},
{
"resolution_limits": [2.570,2.470],
"number_observations": 10843,
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.283
},
{
"type": "R(meas)",
"value": 0.307
},
{
"type": "I/SigI",
"value": 6.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.664
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.670,2.570],
"number_observations": 10372,
"number_observations_unique": 1599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 8.710
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.487
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.790,2.670],
"number_observations": 9469,
"number_observations_unique": 1541,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "I/SigI",
"value": 11.150
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.145
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.930,2.790],
"number_observations": 9964,
"number_observations_unique": 1460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 16.350
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.825
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.090,2.930],
"number_observations": 9428,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 22.640
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.720
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.270,3.090],
"number_observations": 8681,
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.260
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.557
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.500,3.270],
"number_observations": 7826,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.196
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.780,3.500],
"number_observations": 7091,
"number_observations_unique": 1158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 39.620
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.123
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.140,3.780],
"number_observations": 7014,
"number_observations_unique": 1093,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 45.210
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.417
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.630,4.140],
"number_observations": 6082,
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 46.560
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.150
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.340,4.630],
"number_observations": 4859,
"number_observations_unique": 885,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 44.230
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.490
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.550,5.340],
"number_observations": 4467,
"number_observations_unique": 767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 45.320
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.824
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [9.260,6.550],
"number_observations": 3320,
"number_observations_unique": 608,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 45.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.461
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [30.080,9.260],
"number_observations": 1876,
"number_observations_unique": 376,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 44.520
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.989
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}