Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4e171af713b0e53a31ca79c3c75cf823",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 23.65,
"b": 4.72,
"c": 30.06,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.02510],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [7.645,0.750],
"number_observations": 15891,
"number_observations_unique": 4177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.804
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [0.770,0.750],
"number_observations": 1259,
"number_observations_unique": 314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.661
},
{
"type": "R(meas)",
"value": 0.757
},
{
"type": "I/SigI",
"value": 1.280
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 4.010
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [0.790,0.770],
"number_observations": 1271,
"number_observations_unique": 310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.668
},
{
"type": "R(meas)",
"value": 0.770
},
{
"type": "I/SigI",
"value": 1.430
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.533
}
]
},
{
"resolution_limits": [0.810,0.790],
"number_observations": 974,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.656
},
{
"type": "R(meas)",
"value": 0.772
},
{
"type": "I/SigI",
"value": 1.350
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 3.634
},
{
"type": "CC(1/2)",
"value": 0.474
}
]
},
{
"resolution_limits": [0.840,0.810],
"number_observations": 1019,
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.633
},
{
"type": "R(meas)",
"value": 0.730
},
{
"type": "I/SigI",
"value": 1.530
},
{
"type": "Completeness",
"value": 88.000
},
{
"type": "Redundancy",
"value": 3.845
},
{
"type": "CC(1/2)",
"value": 0.625
}
]
},
{
"resolution_limits": [0.870,0.840],
"number_observations": 1032,
"number_observations_unique": 263,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.559
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 1.830
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.924
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [0.900,0.870],
"number_observations": 1082,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.420
},
{
"type": "R(meas)",
"value": 0.484
},
{
"type": "I/SigI",
"value": 2.580
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 4.037
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [0.930,0.900],
"number_observations": 1146,
"number_observations_unique": 270,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.302
},
{
"type": "R(meas)",
"value": 0.341
},
{
"type": "I/SigI",
"value": 3.480
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 4.244
},
{
"type": "CC(1/2)",
"value": 0.903
}
]
},
{
"resolution_limits": [0.970,0.930],
"number_observations": 901,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.304
},
{
"type": "R(meas)",
"value": 0.353
},
{
"type": "I/SigI",
"value": 3.360
},
{
"type": "Completeness",
"value": 88.100
},
{
"type": "Redundancy",
"value": 3.693
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [1.010,0.970],
"number_observations": 808,
"number_observations_unique": 224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.341
},
{
"type": "R(meas)",
"value": 0.405
},
{
"type": "I/SigI",
"value": 3.370
},
{
"type": "Completeness",
"value": 86.800
},
{
"type": "Redundancy",
"value": 3.607
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [1.060,1.010],
"number_observations": 835,
"number_observations_unique": 218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "I/SigI",
"value": 4.480
},
{
"type": "Completeness",
"value": 86.900
},
{
"type": "Redundancy",
"value": 3.830
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [1.120,1.060],
"number_observations": 912,
"number_observations_unique": 227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 5.190
},
{
"type": "Completeness",
"value": 87.600
},
{
"type": "Redundancy",
"value": 4.018
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [1.190,1.120],
"number_observations": 915,
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.213
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "I/SigI",
"value": 5.710
},
{
"type": "Completeness",
"value": 87.700
},
{
"type": "Redundancy",
"value": 4.122
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [1.270,1.190],
"number_observations": 593,
"number_observations_unique": 175,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.177
},
{
"type": "R(meas)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 5.610
},
{
"type": "Completeness",
"value": 84.100
},
{
"type": "Redundancy",
"value": 3.389
},
{
"type": "CC(1/2)",
"value": 0.958
}
]
},
{
"resolution_limits": [1.370,1.270],
"number_observations": 597,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.200
},
{
"type": "R(meas)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 5.480
},
{
"type": "Completeness",
"value": 87.300
},
{
"type": "Redundancy",
"value": 3.354
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [1.500,1.370],
"number_observations": 688,
"number_observations_unique": 177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 85.500
},
{
"type": "Redundancy",
"value": 3.887
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.680,1.500],
"number_observations": 573,
"number_observations_unique": 156,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "I/SigI",
"value": 7.210
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 3.673
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [1.940,1.680],
"number_observations": 382,
"number_observations_unique": 127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "I/SigI",
"value": 7.090
},
{
"type": "Completeness",
"value": 83.600
},
{
"type": "Redundancy",
"value": 3.008
},
{
"type": "CC(1/2)",
"value": 0.929
}
]
},
{
"resolution_limits": [2.370,1.940],
"number_observations": 505,
"number_observations_unique": 134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "I/SigI",
"value": 8.650
},
{
"type": "Completeness",
"value": 83.200
},
{
"type": "Redundancy",
"value": 3.769
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
{
"resolution_limits": [3.360,2.370],
"number_observations": 239,
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 8.710
},
{
"type": "Completeness",
"value": 80.400
},
{
"type": "Redundancy",
"value": 2.915
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [7.645,3.360],
"number_observations": 160,
"number_observations_unique": 55,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 9.550
},
{
"type": "Completeness",
"value": 70.500
},
{
"type": "Redundancy",
"value": 2.909
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}