Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "26836514799d73a8d4a35c2a97358795",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 94.957,
"b": 126.681,
"c": 146.776,
"alpha": 90.00,
"beta": 93.36,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.250],
"number_observations": 672138,
"number_observations_unique": 160858,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "R(meas)",
"value": 0.234
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.250],
"number_observations_unique": 8058,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.663
},
{
"type": "R(meas)",
"value": 0.751
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.656
}
]
},
{
"resolution_limits": [2.330,2.290],
"number_observations_unique": 8110,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.708
},
{
"type": "R(pim)",
"value": 0.324
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.660
}
]
},
{
"resolution_limits": [2.380,2.330],
"number_observations_unique": 7975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.581
},
{
"type": "R(meas)",
"value": 0.660
},
{
"type": "R(pim)",
"value": 0.306
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [2.420,2.380],
"number_observations_unique": 7986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.517
},
{
"type": "R(meas)",
"value": 0.591
},
{
"type": "R(pim)",
"value": 0.279
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.707
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 7934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.557
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.703
}
]
},
{
"resolution_limits": [2.530,2.480],
"number_observations_unique": 7956,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.434
},
{
"type": "R(meas)",
"value": 0.498
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.753
}
]
},
{
"resolution_limits": [2.600,2.530],
"number_observations_unique": 7999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.400
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "R(pim)",
"value": 0.204
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.831
}
]
},
{
"resolution_limits": [2.670,2.600],
"number_observations_unique": 7969,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.370
},
{
"type": "R(meas)",
"value": 0.416
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.865
}
]
},
{
"resolution_limits": [2.750,2.670],
"number_observations_unique": 8001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.329
},
{
"type": "R(meas)",
"value": 0.370
},
{
"type": "R(pim)",
"value": 0.166
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.852
}
]
},
{
"resolution_limits": [2.830,2.750],
"number_observations_unique": 7973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.339
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [2.940,2.830],
"number_observations_unique": 8001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "R(meas)",
"value": 0.304
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
},
{
"resolution_limits": [3.050,2.940],
"number_observations_unique": 7998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.891
}
]
},
{
"resolution_limits": [3.190,3.050],
"number_observations_unique": 8044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.219
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.117
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [3.360,3.190],
"number_observations_unique": 7975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.194
},
{
"type": "R(meas)",
"value": 0.223
},
{
"type": "R(pim)",
"value": 0.107
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.915
}
]
},
{
"resolution_limits": [3.570,3.360],
"number_observations_unique": 7976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.105
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [3.850,3.570],
"number_observations_unique": 8061,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [4.230,3.850],
"number_observations_unique": 8131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [4.850,4.230],
"number_observations_unique": 8109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.162
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.948
}
]
},
{
"resolution_limits": [6.100,4.850],
"number_observations_unique": 8241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.154
},
{
"type": "R(meas)",
"value": 0.175
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.946
}
]
},
{
"resolution_limits": [50.000,6.100],
"number_observations_unique": 8361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.193
},
{
"type": "R(pim)",
"value": 0.086
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.957
}
]
}
]
}