Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "82eb29c781470cf95bf06c5501490e4f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 203.05,
"b": 44.60,
"c": 54.12,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97856],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.562,2.500],
"number_observations": 103691,
"number_observations_unique": 17766,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 15.190
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.836
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.560,2.500],
"number_observations": 7762,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.526
},
{
"type": "R(meas)",
"value": 0.575
},
{
"type": "I/SigI",
"value": 3.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.146
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [2.640,2.560],
"number_observations": 7698,
"number_observations_unique": 1260,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 3.910
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.110
},
{
"type": "CC(1/2)",
"value": 0.897
}
]
},
{
"resolution_limits": [2.710,2.640],
"number_observations": 7559,
"number_observations_unique": 1233,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.374
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.131
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.800,2.710],
"number_observations": 7258,
"number_observations_unique": 1197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 5.710
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.063
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.890,2.800],
"number_observations": 6803,
"number_observations_unique": 1121,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "I/SigI",
"value": 6.920
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.069
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.990,2.890],
"number_observations": 6851,
"number_observations_unique": 1143,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 8.960
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.994
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [3.100,2.990],
"number_observations": 6334,
"number_observations_unique": 1057,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.160
},
{
"type": "I/SigI",
"value": 11.070
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.992
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [3.230,3.100],
"number_observations": 6242,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "I/SigI",
"value": 12.690
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.922
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [3.370,3.230],
"number_observations": 5969,
"number_observations_unique": 1015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 16.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.881
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.540,3.370],
"number_observations": 5494,
"number_observations_unique": 948,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 18.740
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.795
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.730,3.540],
"number_observations": 5290,
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 21.550
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.670
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.950,3.730],
"number_observations": 4833,
"number_observations_unique": 857,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 23.780
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.639
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.230,3.950],
"number_observations": 4625,
"number_observations_unique": 822,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 25.230
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.627
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.560,4.230],
"number_observations": 4331,
"number_observations_unique": 783,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 27.380
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.531
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.000,4.560],
"number_observations": 4034,
"number_observations_unique": 722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.580
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.587
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.590,5.000],
"number_observations": 3584,
"number_observations_unique": 643,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 27.890
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.574
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.460,5.590],
"number_observations": 3256,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 28.410
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.614
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [7.910,6.460],
"number_observations": 2706,
"number_observations_unique": 503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 28.760
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.380
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [11.180,7.910],
"number_observations": 2067,
"number_observations_unique": 404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 30.250
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.116
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [43.562,11.180],
"number_observations": 995,
"number_observations_unique": 228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 27.510
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.364
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}