Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d61025cd98e0acb8f404c03f4c426f8f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.170,
"b": 92.208,
"c": 119.918,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00008],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.10,1.770],
"number_observations": 462185,
"number_observations_unique": 66510,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "I/SigI",
"value": 14.070
},
{
"type": "Completeness",
"value": 72.600
},
{
"type": "Redundancy",
"value": 6.949
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.770],
"number_observations": 48832,
"number_observations_unique": 6692,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.951
},
{
"type": "R(meas)",
"value": 2.100
},
{
"type": "I/SigI",
"value": 0.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.297
},
{
"type": "CC(1/2)",
"value": 0.438
}
]
},
{
"resolution_limits": [1.870,1.820],
"number_observations": 35251,
"number_observations_unique": 5491,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.792
},
{
"type": "R(meas)",
"value": 1.948
},
{
"type": "I/SigI",
"value": 0.950
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 6.420
},
{
"type": "CC(1/2)",
"value": 0.461
}
]
},
{
"resolution_limits": [1.920,1.870],
"number_observations": 41470,
"number_observations_unique": 5847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.791
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "I/SigI",
"value": 2.370
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.093
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [1.980,1.920],
"number_observations": 5160,
"number_observations_unique": 1112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 2.310
},
{
"type": "Completeness",
"value": 19.200
},
{
"type": "Redundancy",
"value": 4.640
},
{
"type": "CC(1/2)",
"value": 0.827
}
]
},
{
"resolution_limits": [2.040,1.980],
"number_observations": 39903,
"number_observations_unique": 5599,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.438
},
{
"type": "I/SigI",
"value": 4.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.127
},
{
"type": "CC(1/2)",
"value": 0.943
}
]
},
{
"resolution_limits": [2.120,2.040],
"number_observations": 11529,
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "I/SigI",
"value": 4.730
},
{
"type": "Completeness",
"value": 37.200
},
{
"type": "Redundancy",
"value": 5.770
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [2.200,2.120],
"number_observations": 38916,
"number_observations_unique": 5160,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.226
},
{
"type": "R(meas)",
"value": 0.243
},
{
"type": "I/SigI",
"value": 8.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.542
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.290,2.200],
"number_observations": 38014,
"number_observations_unique": 4992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.189
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 10.310
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.615
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.390,2.290],
"number_observations": 35232,
"number_observations_unique": 4708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.166
},
{
"type": "I/SigI",
"value": 12.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.483
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.500,2.390],
"number_observations": 17896,
"number_observations_unique": 2772,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 15.480
},
{
"type": "Completeness",
"value": 61.600
},
{
"type": "Redundancy",
"value": 6.456
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.640,2.500],
"number_observations": 28919,
"number_observations_unique": 4201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.091
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 20.080
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.884
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.800,2.640],
"number_observations": 29406,
"number_observations_unique": 3940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 26.280
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.463
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.990,2.800],
"number_observations": 20347,
"number_observations_unique": 2998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 28.200
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 6.787
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.230,2.990],
"number_observations": 13572,
"number_observations_unique": 2401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.420
},
{
"type": "Completeness",
"value": 72.600
},
{
"type": "Redundancy",
"value": 5.653
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.540,3.230],
"number_observations": 18850,
"number_observations_unique": 2934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 36.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.425
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.960,3.540],
"number_observations": 18076,
"number_observations_unique": 2521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 39.450
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.170
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.570,3.960],
"number_observations": 13091,
"number_observations_unique": 1974,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 37.870
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.632
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [5.600,4.570],
"number_observations": 7721,
"number_observations_unique": 1170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 44.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.599
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [7.920,5.600],
"quality_factors": [
]
},
{
"resolution_limits": [73.100,7.920],
"quality_factors": [
]
}
]
}