Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d834d4693f8477f2ff8c4481c11ca2a8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 183.490,
"b": 206.292,
"c": 177.617,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.90000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [200.000,1.850],
"number_observations_unique": 565495,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.103
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.870,1.850],
"number_observations_unique": 14002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.990
},
{
"type": "R(meas)",
"value": 1.059
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [1.880,1.870],
"number_observations_unique": 14015,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.926
},
{
"type": "R(meas)",
"value": 0.989
},
{
"type": "R(pim)",
"value": 0.342
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.894
}
]
},
{
"resolution_limits": [1.900,1.880],
"number_observations_unique": 14007,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.858
},
{
"type": "R(meas)",
"value": 0.917
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [1.920,1.900],
"number_observations_unique": 14149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.735
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.930,1.920],
"number_observations_unique": 13984,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.669
},
{
"type": "R(meas)",
"value": 0.715
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [1.950,1.930],
"number_observations_unique": 14147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.617
},
{
"type": "R(meas)",
"value": 0.659
},
{
"type": "R(pim)",
"value": 0.227
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [1.970,1.950],
"number_observations_unique": 14061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.573
},
{
"type": "R(meas)",
"value": 0.612
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.950
}
]
},
{
"resolution_limits": [1.990,1.970],
"number_observations_unique": 14022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.563
},
{
"type": "R(pim)",
"value": 0.194
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.010,1.990],
"number_observations_unique": 14095,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.515
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "R(pim)",
"value": 0.181
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.700
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [2.040,2.010],
"number_observations_unique": 14026,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.471
},
{
"type": "R(meas)",
"value": 0.500
},
{
"type": "R(pim)",
"value": 0.163
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.060,2.040],
"number_observations_unique": 14105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.466
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [2.080,2.060],
"number_observations_unique": 14014,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.385
},
{
"type": "R(meas)",
"value": 0.408
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [2.110,2.080],
"number_observations_unique": 14118,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.380
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [2.140,2.110],
"number_observations_unique": 14003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.336
},
{
"type": "R(meas)",
"value": 0.356
},
{
"type": "R(pim)",
"value": 0.116
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [2.160,2.140],
"number_observations_unique": 14112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.298
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [2.190,2.160],
"number_observations_unique": 14052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.266
},
{
"type": "R(meas)",
"value": 0.282
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [2.220,2.190],
"number_observations_unique": 14053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.260,2.220],
"number_observations_unique": 14063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.074
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [2.290,2.260],
"number_observations_unique": 14072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.204
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [2.330,2.290],
"number_observations_unique": 14033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
{
"resolution_limits": [2.370,2.330],
"number_observations_unique": 14059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.158
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.410,2.370],
"number_observations_unique": 14132,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.460,2.410],
"number_observations_unique": 14046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.510,2.460],
"number_observations_unique": 14096,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [2.570,2.510],
"number_observations_unique": 14091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.630,2.570],
"number_observations_unique": 14063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.690,2.630],
"number_observations_unique": 14100,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.760,2.690],
"number_observations_unique": 14119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.255
},
{
"type": "R(meas)",
"value": 0.262
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [2.840,2.760],
"number_observations_unique": 14163,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [2.940,2.840],
"number_observations_unique": 14224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.100
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.040,2.940],
"number_observations_unique": 14182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [3.160,3.040],
"number_observations_unique": 14216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.310,3.160],
"number_observations_unique": 14220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [3.480,3.310],
"number_observations_unique": 14274,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 24.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.700,3.480],
"number_observations_unique": 14215,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 23.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [3.990,3.700],
"number_observations_unique": 14287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 22.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [4.390,3.990],
"number_observations_unique": 14267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [5.020,4.390],
"number_observations_unique": 14332,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 19.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [6.330,5.020],
"number_observations_unique": 14480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 21.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [200.000,6.330],
"number_observations_unique": 14796,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 18.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}