Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ee62e5258382c6396a80827bb171afe",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 89.240,
"b": 152.149,
"c": 96.049,
"alpha": 90.00,
"beta": 94.29,
"gamma": 90.00
},
"wavelengths": [0.85000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.100],
"number_observations": 301241,
"number_observations_unique": 45209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.393
},
{
"type": "R(meas)",
"value": 0.426
},
{
"type": "R(pim)",
"value": 0.164
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations_unique": 4523,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.063
},
{
"type": "R(meas)",
"value": 2.267
},
{
"type": "R(pim)",
"value": 0.925
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.307
}
]
},
{
"resolution_limits": [3.340,3.210],
"number_observations_unique": 4458,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.552
},
{
"type": "R(meas)",
"value": 1.690
},
{
"type": "R(pim)",
"value": 0.664
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.532
}
]
},
{
"resolution_limits": [3.490,3.340],
"number_observations_unique": 4520,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.203
},
{
"type": "R(meas)",
"value": 1.309
},
{
"type": "R(pim)",
"value": 0.510
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.673
}
]
},
{
"resolution_limits": [3.680,3.490],
"number_observations_unique": 4543,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 0.942
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.780
}
]
},
{
"resolution_limits": [3.910,3.680],
"number_observations_unique": 4459,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.660
},
{
"type": "R(meas)",
"value": 0.712
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.898
}
]
},
{
"resolution_limits": [4.210,3.910],
"number_observations_unique": 4521,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.443
},
{
"type": "R(meas)",
"value": 0.478
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.947
}
]
},
{
"resolution_limits": [4.630,4.210],
"number_observations_unique": 4526,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.292
},
{
"type": "R(meas)",
"value": 0.318
},
{
"type": "R(pim)",
"value": 0.124
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [5.300,4.630],
"number_observations_unique": 4528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.272
},
{
"type": "R(pim)",
"value": 0.106
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
{
"resolution_limits": [6.670,5.300],
"number_observations_unique": 4519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.230
},
{
"type": "R(meas)",
"value": 0.248
},
{
"type": "R(pim)",
"value": 0.092
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [50.000,6.670],
"number_observations_unique": 4612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}