Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5edb5b7094b1412bea39117454dfd726",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 76.906,
"b": 147.933,
"c": 102.017,
"alpha": 90.00,
"beta": 93.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.4840],
"number_observations_unique": 27904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.206
},
{
"type": "R(meas)",
"value": 0.246
},
{
"type": "R(pim)",
"value": 0.133
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.300
}
]
},
"refln_shells": [
{
"resolution_limits": [3.560,3.500],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.561
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.767
}
]
},
{
"resolution_limits": [3.630,3.560],
"number_observations_unique": 1422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.527
},
{
"type": "R(meas)",
"value": 0.628
},
{
"type": "R(pim)",
"value": 0.337
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.745
}
]
},
{
"resolution_limits": [3.690,3.630],
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.504
},
{
"type": "R(meas)",
"value": 0.602
},
{
"type": "R(pim)",
"value": 0.325
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.722
}
]
},
{
"resolution_limits": [3.770,3.690],
"number_observations_unique": 1392,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.411
},
{
"type": "R(meas)",
"value": 0.489
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [3.850,3.770],
"number_observations_unique": 1399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.262
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.804
}
]
},
{
"resolution_limits": [3.940,3.850],
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.334
},
{
"type": "R(meas)",
"value": 0.402
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.842
}
]
},
{
"resolution_limits": [4.040,3.940],
"number_observations_unique": 1393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.321
},
{
"type": "R(meas)",
"value": 0.387
},
{
"type": "R(pim)",
"value": 0.213
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
},
{
"resolution_limits": [4.150,4.040],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.288
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "R(pim)",
"value": 0.197
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.874
}
]
},
{
"resolution_limits": [4.270,4.150],
"number_observations_unique": 1277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.244
},
{
"type": "R(meas)",
"value": 0.300
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [4.410,4.270],
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.930
}
]
},
{
"resolution_limits": [4.570,4.410],
"number_observations_unique": 1404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "R(meas)",
"value": 0.227
},
{
"type": "R(pim)",
"value": 0.121
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.954
}
]
},
{
"resolution_limits": [4.750,4.570],
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.216
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
},
{
"resolution_limits": [4.970,4.750],
"number_observations_unique": 1405,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.170
},
{
"type": "R(meas)",
"value": 0.201
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [5.230,4.970],
"number_observations_unique": 1440,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [5.550,5.230],
"number_observations_unique": 1429,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
{
"resolution_limits": [5.980,5.550],
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.194
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [6.580,5.980],
"number_observations_unique": 1413,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.956
}
]
},
{
"resolution_limits": [7.530,6.580],
"number_observations_unique": 1415,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [9.480,7.530],
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "Completeness",
"value": 89.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [50.000,9.480],
"number_observations_unique": 1455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}