Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9924928491eaf7e53a246799bbe85f3c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 63.834,
"b": 162.839,
"c": 108.158,
"alpha": 90.00,
"beta": 90.59,
"gamma": 90.00
},
"wavelengths": [0.87260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.51,1.94],
"number_observations_unique": 157924,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.055
},
{
"type": "I/SigI",
"value": 10.5
},
{
"type": "Completeness",
"value": 97.2
},
{
"type": "Redundancy",
"value": 3.1
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.04,1.94],
"number_observations_unique": 22664,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.542
},
{
"type": "R(meas)",
"value": 0.667
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "CC(1/2)",
"value": 0.719
}
]
}
]
}