Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3fb6af69d3bd5af68d3841ebda3e5b20",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 49.007,
"b": 49.007,
"c": 196.275,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.07,1.70],
"number_observations_unique": 31284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 19.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.8
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [49.07,9.00],
"number_observations_unique": 284,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.4
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 9.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 1602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.265
},
{
"type": "R(meas)",
"value": 1.375
},
{
"type": "R(pim)",
"value": 0.538
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 12.4
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
}
]
}