Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fe964e864804803c803a0b9f8f4cbfc5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 60.18,
"b": 62.59,
"c": 117.79,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.448,1.900],
"number_observations": 194141,
"number_observations_unique": 35607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 17.910
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.452
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations": 14608,
"number_observations_unique": 2580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.534
},
{
"type": "R(meas)",
"value": 0.587
},
{
"type": "I/SigI",
"value": 3.510
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.662
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
},
{
"resolution_limits": [2.000,1.950],
"number_observations": 14520,
"number_observations_unique": 2537,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.494
},
{
"type": "R(meas)",
"value": 0.542
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.723
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [2.060,2.000],
"number_observations": 14261,
"number_observations_unique": 2486,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.351
},
{
"type": "R(meas)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 5.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.737
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [2.120,2.060],
"number_observations": 13396,
"number_observations_unique": 2395,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 6.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.593
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
{
"resolution_limits": [2.190,2.120],
"number_observations": 13007,
"number_observations_unique": 2327,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.232
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 8.270
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.590
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [2.270,2.190],
"number_observations": 12217,
"number_observations_unique": 2246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 10.360
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.439
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations": 10926,
"number_observations_unique": 2175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 11.750
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.023
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.450,2.360],
"number_observations": 11607,
"number_observations_unique": 2079,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 14.730
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.583
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.560,2.450],
"number_observations": 11585,
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 17.760
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.684
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.690,2.560],
"number_observations": 10847,
"number_observations_unique": 1919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 20.270
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.652
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.830,2.690],
"number_observations": 10353,
"number_observations_unique": 1864,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 23.720
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.554
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.000,2.830],
"number_observations": 9411,
"number_observations_unique": 1755,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 26.330
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.362
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.210,3.000],
"number_observations": 8430,
"number_observations_unique": 1627,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 29.710
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.181
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.470,3.210],
"number_observations": 7147,
"number_observations_unique": 1527,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 32.090
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.680
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.800,3.470],
"number_observations": 7745,
"number_observations_unique": 1409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 36.230
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.497
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.250,3.800],
"number_observations": 7037,
"number_observations_unique": 1286,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.840
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.472
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [4.910,4.250],
"number_observations": 6167,
"number_observations_unique": 1156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 38.240
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.335
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.010,4.910],
"number_observations": 4950,
"number_observations_unique": 978,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 36.960
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.061
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [8.500,6.010],
"number_observations": 3701,
"number_observations_unique": 775,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 36.810
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.775
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [29.448,8.500],
"number_observations": 2226,
"number_observations_unique": 448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 38.790
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 4.969
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}