Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e51574f2b9f7a62437bbd1f3f4eb4960",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.300,
"b": 54.299,
"c": 122.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.300,1.650],
"number_observations": 237130,
"number_observations_unique": 37091,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.650],
"number_observations": 11980,
"number_observations_unique": 1788,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.035
},
{
"type": "R(meas)",
"value": 1.121
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [45.300,9.040],
"number_observations": 1483,
"number_observations_unique": 280,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 35.600
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}