Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0b6d5bd65dc6423c3f4e1994ae62c774",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 46.171,
"b": 46.171,
"c": 115.294,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.862,1.900],
"number_observations_unique": 5236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 23.850
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 11.955
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.288
},
{
"type": "I/SigI",
"value": 7.860
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.481
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [2.010,1.950],
"number_observations_unique": 371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.282
},
{
"type": "R(meas)",
"value": 0.294
},
{
"type": "I/SigI",
"value": 8.930
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.350
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [2.060,2.010],
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 10.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.217
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.130,2.060],
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "I/SigI",
"value": 13.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.629
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.200,2.130],
"number_observations_unique": 348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 14.130
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.784
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.270,2.200],
"number_observations_unique": 317,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 14.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.830
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.360,2.270],
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "I/SigI",
"value": 17.670
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.541
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.460,2.360],
"number_observations_unique": 309,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "R(meas)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 20.420
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.055
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [2.570,2.460],
"number_observations_unique": 299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 20.990
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.140
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.690,2.570],
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "I/SigI",
"value": 24.780
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.099
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [2.840,2.690],
"number_observations_unique": 275,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 28.480
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.578
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.010,2.840],
"number_observations_unique": 253,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.348
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.220,3.010],
"number_observations_unique": 238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 38.860
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.769
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.470,3.220],
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 39.950
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 10.760
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.810,3.470],
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 41.330
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.855
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.260,3.810],
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 44.640
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 10.832
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [4.910,4.260],
"number_observations_unique": 174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 46.840
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.603
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [6.020,4.910],
"number_observations_unique": 155,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 43.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.961
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [8.510,6.020],
"number_observations_unique": 123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 43.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.959
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [42.862,8.510],
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 45.260
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 9.427
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}