Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a477010c6995466238f91732ef9318e1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.759,
"b": 66.606,
"c": 80.267,
"alpha": 90.00,
"beta": 100.06,
"gamma": 90.00
},
"wavelengths": [0.96870],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.720,2.250],
"number_observations": 136122,
"number_observations_unique": 32838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.139
},
{
"type": "R(pim)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 7.000
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.250],
"number_observations": 20261,
"number_observations_unique": 4756,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.902
},
{
"type": "R(pim)",
"value": 0.430
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 4.300
},
{
"type": "CC(1/2)",
"value": 0.787
}
]
},
{
"resolution_limits": [66.720,7.130],
"number_observations": 4195,
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.124
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
}
]
}