Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "21f3374caf6d13720a6e8709d8e14796",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 104.834,
"b": 158.225,
"c": 178.442,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.320,2.530],
"number_observations": 681711,
"number_observations_unique": 100954,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 11.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.753
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.530],
"number_observations": 51424,
"number_observations_unique": 7391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.769
},
{
"type": "R(meas)",
"value": 1.911
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.958
},
{
"type": "CC(1/2)",
"value": 0.507
}
]
},
{
"resolution_limits": [2.670,2.600],
"number_observations": 49256,
"number_observations_unique": 7199,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.458
},
{
"type": "R(meas)",
"value": 1.578
},
{
"type": "I/SigI",
"value": 1.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.842
},
{
"type": "CC(1/2)",
"value": 0.580
}
]
},
{
"resolution_limits": [2.740,2.670],
"number_observations": 47034,
"number_observations_unique": 7010,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.155
},
{
"type": "R(meas)",
"value": 1.252
},
{
"type": "I/SigI",
"value": 1.770
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.710
},
{
"type": "CC(1/2)",
"value": 0.642
}
]
},
{
"resolution_limits": [2.830,2.740],
"number_observations": 43972,
"number_observations_unique": 6780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.877
},
{
"type": "R(meas)",
"value": 0.954
},
{
"type": "I/SigI",
"value": 2.290
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.486
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [2.920,2.830],
"number_observations": 43945,
"number_observations_unique": 6632,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.659
},
{
"type": "R(meas)",
"value": 0.716
},
{
"type": "I/SigI",
"value": 3.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.626
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [3.020,2.920],
"number_observations": 45066,
"number_observations_unique": 6368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.492
},
{
"type": "R(meas)",
"value": 0.531
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.077
},
{
"type": "CC(1/2)",
"value": 0.912
}
]
},
{
"resolution_limits": [3.140,3.020],
"number_observations": 43516,
"number_observations_unique": 6179,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "I/SigI",
"value": 5.540
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.043
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [3.270,3.140],
"number_observations": 41713,
"number_observations_unique": 5966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.270
},
{
"type": "R(meas)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 7.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.992
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [3.410,3.270],
"number_observations": 39450,
"number_observations_unique": 5723,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.195
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 9.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.893
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.580,3.410],
"number_observations": 36254,
"number_observations_unique": 5459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.641
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.770,3.580],
"number_observations": 33526,
"number_observations_unique": 5223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "I/SigI",
"value": 14.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.419
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [4.000,3.770],
"number_observations": 33751,
"number_observations_unique": 4936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.838
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.280,4.000],
"number_observations": 32504,
"number_observations_unique": 4650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 21.440
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.990
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.620,4.280],
"number_observations": 29733,
"number_observations_unique": 4354,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 24.630
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.829
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.060,4.620],
"number_observations": 26653,
"number_observations_unique": 4005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 26.570
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.655
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.660,5.060],
"number_observations": 22371,
"number_observations_unique": 3630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 25.030
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.163
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.530,5.660],
"number_observations": 22014,
"number_observations_unique": 3248,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 26.650
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.778
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [8.000,6.530],
"number_observations": 18566,
"number_observations_unique": 2771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 31.010
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [11.310,8.000],
"number_observations": 13088,
"number_observations_unique": 2167,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 35.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.040
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [72.320,11.310],
"number_observations": 7875,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 38.020
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.235
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}