Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "54c35ac9e74742e168cb4c14f973150c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.54,
"b": 70.86,
"c": 66.00,
"alpha": 90.00,
"beta": 100.06,
"gamma": 90.00
},
"wavelengths": [0.77490],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.5,2.400],
"number_observations_unique": 16528,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 5683,
"number_observations_unique": 1581,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.103
},
{
"type": "R(meas)",
"value": 1.282
},
{
"type": "R(pim)",
"value": 0.641
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.515
}
]
},
{
"resolution_limits": [29.540,8.980],
"number_observations": 1629,
"number_observations_unique": 341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 35.100
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}