Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6de5a077b64852feb7b48dad587be334",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 68.701,
"b": 94.253,
"c": 87.395,
"alpha": 90.00,
"beta": 93.06,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.000,2.800],
"number_observations": 81339,
"number_observations_unique": 26844,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 1184,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.982
},
{
"type": "R(meas)",
"value": 0.923
},
{
"type": "R(pim)",
"value": 0.745
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.423
}
]
},
{
"resolution_limits": [2.900,2.850],
"number_observations_unique": 1266,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 0.805
},
{
"type": "R(pim)",
"value": 0.697
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [2.960,2.900],
"number_observations_unique": 1357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 0.677
},
{
"type": "R(pim)",
"value": 0.680
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.457
}
]
},
{
"resolution_limits": [3.020,2.960],
"number_observations_unique": 1361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.768
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.589
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.630
}
]
},
{
"resolution_limits": [3.080,3.020],
"number_observations_unique": 1360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.673
},
{
"type": "R(meas)",
"value": 0.487
},
{
"type": "R(pim)",
"value": 0.504
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
},
{
"resolution_limits": [3.150,3.080],
"number_observations_unique": 1385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.419
},
{
"type": "R(pim)",
"value": 0.437
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.708
}
]
},
{
"resolution_limits": [3.230,3.150],
"number_observations_unique": 1330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "R(meas)",
"value": 0.325
},
{
"type": "R(pim)",
"value": 0.368
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.800
}
]
},
{
"resolution_limits": [3.320,3.230],
"number_observations_unique": 1356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.405
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.301
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.836
}
]
},
{
"resolution_limits": [3.420,3.320],
"number_observations_unique": 1368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.346
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [3.530,3.420],
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.232
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.879
}
]
},
{
"resolution_limits": [3.650,3.530],
"number_observations_unique": 1301,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.218
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "Completeness",
"value": 93.500
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
},
{
"resolution_limits": [3.800,3.650],
"number_observations_unique": 1345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.147
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [3.970,3.800],
"number_observations_unique": 1339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.126
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [4.180,3.970],
"number_observations_unique": 1380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.171
},
{
"type": "R(pim)",
"value": 0.113
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [4.440,4.180],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [4.790,4.440],
"number_observations_unique": 1373,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.969
}
]
},
{
"resolution_limits": [5.270,4.790],
"number_observations_unique": 1341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [6.030,5.270],
"number_observations_unique": 1324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(pim)",
"value": 0.096
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.952
}
]
},
{
"resolution_limits": [7.580,6.030],
"number_observations_unique": 1397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.079
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.966
}
]
},
{
"resolution_limits": [40.000,7.580],
"number_observations_unique": 1377,
"quality_factors": [
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
}
]
}