Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "da86c523930e048fc35ee3a6851c665c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 84.159,
"b": 92.834,
"c": 121.104,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99997],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.42,2.380],
"number_observations": 256014,
"number_observations_unique": 38728,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 10.580
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.611
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.380],
"number_observations": 18968,
"number_observations_unique": 2800,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.738
},
{
"type": "R(meas)",
"value": 1.884
},
{
"type": "I/SigI",
"value": 1.180
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.774
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [2.510,2.440],
"number_observations": 17874,
"number_observations_unique": 2735,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.367
},
{
"type": "R(meas)",
"value": 1.486
},
{
"type": "I/SigI",
"value": 1.520
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.535
},
{
"type": "CC(1/2)",
"value": 0.627
}
]
},
{
"resolution_limits": [2.580,2.510],
"number_observations": 17554,
"number_observations_unique": 2691,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.196
},
{
"type": "I/SigI",
"value": 1.930
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.523
},
{
"type": "CC(1/2)",
"value": 0.737
}
]
},
{
"resolution_limits": [2.660,2.580],
"number_observations": 17255,
"number_observations_unique": 2580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "I/SigI",
"value": 2.440
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.688
},
{
"type": "CC(1/2)",
"value": 0.782
}
]
},
{
"resolution_limits": [2.750,2.660],
"number_observations": 17447,
"number_observations_unique": 2524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.690
},
{
"type": "R(meas)",
"value": 0.746
},
{
"type": "I/SigI",
"value": 3.240
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.912
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.840,2.750],
"number_observations": 16852,
"number_observations_unique": 2464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.599
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.839
},
{
"type": "CC(1/2)",
"value": 0.914
}
]
},
{
"resolution_limits": [2.950,2.840],
"number_observations": 15927,
"number_observations_unique": 2373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.432
},
{
"type": "R(meas)",
"value": 0.469
},
{
"type": "I/SigI",
"value": 5.050
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.712
},
{
"type": "CC(1/2)",
"value": 0.940
}
]
},
{
"resolution_limits": [3.070,2.950],
"number_observations": 14506,
"number_observations_unique": 2273,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.344
},
{
"type": "R(meas)",
"value": 0.375
},
{
"type": "I/SigI",
"value": 6.160
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.382
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [3.210,3.070],
"number_observations": 14238,
"number_observations_unique": 2207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.278
},
{
"type": "I/SigI",
"value": 7.950
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.451
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.370,3.210],
"number_observations": 14242,
"number_observations_unique": 2086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "I/SigI",
"value": 10.820
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.827
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [3.550,3.370],
"number_observations": 13679,
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.169
},
{
"type": "I/SigI",
"value": 12.350
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.839
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [3.760,3.550],
"number_observations": 12518,
"number_observations_unique": 1880,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.659
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.020,3.760],
"number_observations": 11407,
"number_observations_unique": 1799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 16.980
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.341
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [4.350,4.020],
"number_observations": 10930,
"number_observations_unique": 1678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 22.430
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.514
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [4.760,4.350],
"number_observations": 10481,
"number_observations_unique": 1536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.824
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.320,4.760],
"number_observations": 9329,
"number_observations_unique": 1403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 26.290
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.649
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [6.150,5.320],
"number_observations": 7780,
"number_observations_unique": 1263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 23.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.160
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [7.530,6.150],
"number_observations": 6900,
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 28.170
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.437
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [10.640,7.530],
"number_observations": 5269,
"number_observations_unique": 855,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 35.950
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.163
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [46.460,10.640],
"number_observations": 2858,
"number_observations_unique": 509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 42.710
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.615
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}