Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3075ce94045c8e1e1a822e918edaa719",
"space_group_name": "P 65",
"unit_cell": {
"a": 73.93,
"b": 73.93,
"c": 367.74,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.28229],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.290,3.500],
"number_observations": 69158,
"number_observations_unique": 27470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 2.518
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [3.600,3.500],
"number_observations_unique": 2191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.984
},
{
"type": "R(meas)",
"value": 1.239
},
{
"type": "I/SigI",
"value": 1.150
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.602
},
{
"type": "CC(1/2)",
"value": 0.403
}
]
},
{
"resolution_limits": [3.700,3.600],
"number_observations_unique": 2022,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.739
},
{
"type": "R(meas)",
"value": 0.940
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 2.547
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [3.800,3.700],
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.597
},
{
"type": "R(meas)",
"value": 0.753
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 2.592
},
{
"type": "CC(1/2)",
"value": 0.747
}
]
},
{
"resolution_limits": [3.900,3.800],
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.553
},
{
"type": "R(meas)",
"value": 0.701
},
{
"type": "I/SigI",
"value": 2.410
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 2.531
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [4.000,3.900],
"number_observations_unique": 1337,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.460
},
{
"type": "R(meas)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 2.527
},
{
"type": "CC(1/2)",
"value": 0.855
}
]
},
{
"resolution_limits": [4.100,4.000],
"number_observations_unique": 1352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.313
},
{
"type": "R(meas)",
"value": 0.397
},
{
"type": "I/SigI",
"value": 3.540
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 2.513
},
{
"type": "CC(1/2)",
"value": 0.893
}
]
},
{
"resolution_limits": [4.200,4.100],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.265
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 3.890
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 2.426
},
{
"type": "CC(1/2)",
"value": 0.942
}
]
},
{
"resolution_limits": [4.300,4.200],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 4.110
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 2.364
},
{
"type": "CC(1/2)",
"value": 0.918
}
]
},
{
"resolution_limits": [4.400,4.300],
"number_observations_unique": 1016,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.188
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "I/SigI",
"value": 4.830
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.202
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [4.500,4.400],
"number_observations_unique": 871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 5.670
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.341
},
{
"type": "CC(1/2)",
"value": 0.971
}
]
},
{
"resolution_limits": [5.000,4.500],
"number_observations_unique": 3605,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "I/SigI",
"value": 6.840
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.464
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
{
"resolution_limits": [6.000,5.000],
"number_observations_unique": 3989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 7.620
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 2.531
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [10.000,6.000],
"number_observations_unique": 4365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 2.647
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [48.290,10.000],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 34.410
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 2.448
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}