Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aedae16f40b93c67738db1e13c257158",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 182.482,
"b": 60.093,
"c": 67.341,
"alpha": 90.00,
"beta": 94.75,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.460,2.500],
"number_observations": 172574,
"number_observations_unique": 25000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.398
},
{
"type": "R(meas)",
"value": 0.430
},
{
"type": "R(pim)",
"value": 0.162
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [2.600,2.500],
"number_observations": 19579,
"number_observations_unique": 2789,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.821
},
{
"type": "R(meas)",
"value": 1.965
},
{
"type": "R(pim)",
"value": 0.731
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.706
}
]
},
{
"resolution_limits": [45.460,9.010],
"number_observations": 3717,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 18.800
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}