Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6d144c0063f02c726cb7e1f347b1b7fa",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.831,
"b": 56.142,
"c": 101.660,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.460],
"number_observations": 367060,
"number_observations_unique": 55525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 26277,
"number_observations_unique": 3980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "R(meas)",
"value": 0.821
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.822
}
]
},
{
"resolution_limits": [29.010,6.520],
"number_observations": 4523,
"number_observations_unique": 726,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 82.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}