Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "55f1b1ae04600b56b58f84598be78d48",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 32.523,
"b": 72.568,
"c": 120.094,
"alpha": 90.000,
"beta": 91.839,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.25,1.65],
"number_observations_unique": 67149,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.120
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 6.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [46.25,9.04],
"number_observations_unique": 446,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [1.73,1.70],
"number_observations_unique": 3267,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.449
},
{
"type": "R(meas)",
"value": 1.635
},
{
"type": "R(pim)",
"value": 0.747
},
{
"type": "Redundancy",
"value": 4.2
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
}
]
}