Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e710575090812fc1ed8012b903a2392",
"space_group_name": "P 32",
"unit_cell": {
"a": 144.168,
"b": 144.168,
"c": 74.223,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97776],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.700],
"number_observations": 482821,
"number_observations_unique": 47259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.187
},
{
"type": "R(meas)",
"value": 0.198
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.857
},
{
"type": "R(pim)",
"value": 0.293
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.833
}
]
},
{
"resolution_limits": [2.800,2.750],
"number_observations_unique": 2343,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.761
},
{
"type": "R(meas)",
"value": 0.807
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.877
}
]
},
{
"resolution_limits": [2.850,2.800],
"number_observations_unique": 2357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.681
},
{
"type": "R(meas)",
"value": 0.718
},
{
"type": "R(pim)",
"value": 0.229
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
},
{
"resolution_limits": [2.910,2.850],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.587
},
{
"type": "R(meas)",
"value": 0.618
},
{
"type": "R(pim)",
"value": 0.193
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.935
}
]
},
{
"resolution_limits": [2.970,2.910],
"number_observations_unique": 2371,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.565
},
{
"type": "R(meas)",
"value": 0.595
},
{
"type": "R(pim)",
"value": 0.184
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.937
}
]
},
{
"resolution_limits": [3.040,2.970],
"number_observations_unique": 2365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.494
},
{
"type": "R(pim)",
"value": 0.154
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.953
}
]
},
{
"resolution_limits": [3.120,3.040],
"number_observations_unique": 2374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.373
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.127
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.200,3.120],
"number_observations_unique": 2377,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.318
},
{
"type": "R(meas)",
"value": 0.335
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [3.300,3.200],
"number_observations_unique": 2339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.280
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [3.400,3.300],
"number_observations_unique": 2372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.250
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [3.520,3.400],
"number_observations_unique": 2408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.202
},
{
"type": "R(meas)",
"value": 0.213
},
{
"type": "R(pim)",
"value": 0.064
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
{
"resolution_limits": [3.660,3.520],
"number_observations_unique": 2336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.180
},
{
"type": "R(meas)",
"value": 0.189
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.800
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
{
"resolution_limits": [3.830,3.660],
"number_observations_unique": 2338,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.168
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.030,3.830],
"number_observations_unique": 2362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.161
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [4.290,4.030],
"number_observations_unique": 2379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.620,4.290],
"number_observations_unique": 2360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [5.080,4.620],
"number_observations_unique": 2356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [5.810,5.080],
"number_observations_unique": 2361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.142
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.300
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [7.320,5.810],
"number_observations_unique": 2375,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [50.000,7.320],
"number_observations_unique": 2368,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.179
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.920
}
]
}
]
}