Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2b8834789a62bc4d7cf448570cdd0dc2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 67.156,
"b": 135.331,
"c": 70.126,
"alpha": 90.00,
"beta": 100.57,
"gamma": 90.00
},
"wavelengths": [0.95372],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.770,2.600],
"number_observations": 269468,
"number_observations_unique": 37634,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 11.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 33592,
"number_observations_unique": 4555,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.521
},
{
"type": "R(meas)",
"value": 1.636
},
{
"type": "R(pim)",
"value": 0.598
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.400
},
{
"type": "CC(1/2)",
"value": 0.715
}
]
},
{
"resolution_limits": [29.770,9.010],
"number_observations": 6476,
"number_observations_unique": 915,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}