Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c07a6d693ef31afe3ad9d17b7ba9014e",
"space_group_name": "P 1",
"unit_cell": {
"a": 77.21,
"b": 82.79,
"c": 82.86,
"alpha": 109.38,
"beta": 89.94,
"gamma": 106.53
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.900,1.850],
"number_observations": 600700,
"number_observations_unique": 153460,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 13.180
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.850],
"number_observations": 37679,
"number_observations_unique": 10623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.348
},
{
"type": "R(meas)",
"value": 0.412
},
{
"type": "I/SigI",
"value": 3.290
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 3.547
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations": 43007,
"number_observations_unique": 11026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.272
},
{
"type": "R(meas)",
"value": 0.316
},
{
"type": "I/SigI",
"value": 4.560
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.901
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations": 42693,
"number_observations_unique": 10698,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "R(meas)",
"value": 0.245
},
{
"type": "I/SigI",
"value": 5.740
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.991
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.070,2.010],
"number_observations": 41592,
"number_observations_unique": 10435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.195
},
{
"type": "I/SigI",
"value": 7.160
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.986
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [2.140,2.070],
"number_observations": 40385,
"number_observations_unique": 10138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 8.870
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.984
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.210,2.140],
"number_observations": 38857,
"number_observations_unique": 9762,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.131
},
{
"type": "I/SigI",
"value": 10.160
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.980
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.290,2.210],
"number_observations": 37610,
"number_observations_unique": 9465,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 11.420
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.974
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 36210,
"number_observations_unique": 9125,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 12.710
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.968
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [2.490,2.390],
"number_observations": 34743,
"number_observations_unique": 8769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 13.730
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.962
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.620,2.490],
"number_observations": 33197,
"number_observations_unique": 8397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "I/SigI",
"value": 15.060
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.953
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.760,2.620],
"number_observations": 31681,
"number_observations_unique": 8036,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "I/SigI",
"value": 16.730
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.942
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.930,2.760],
"number_observations": 29715,
"number_observations_unique": 7552,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 18.150
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.935
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.130,2.930],
"number_observations": 27880,
"number_observations_unique": 7111,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 19.770
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.921
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.380,3.130],
"number_observations": 26018,
"number_observations_unique": 6674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 21.110
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.898
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [3.700,3.380],
"number_observations": 23834,
"number_observations_unique": 6130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 22.210
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.888
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.140,3.700],
"number_observations": 21624,
"number_observations_unique": 5556,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 22.780
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.892
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [4.780,4.140],
"number_observations": 19118,
"number_observations_unique": 4907,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.410
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.896
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [5.850,4.780],
"number_observations": 16054,
"number_observations_unique": 4139,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 23.340
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.879
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [8.270,5.850],
"number_observations": 12381,
"number_observations_unique": 3197,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 23.220
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.873
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [45.900,8.270],
"number_observations": 6422,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 23.350
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.734
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}