Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "45e96b68bb15aa17285eea6827bf105f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 37.958,
"b": 43.372,
"c": 79.444,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95397],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.72,1.00],
"number_observations_unique": 60952,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.1
},
{
"type": "Completeness",
"value": 85.4
},
{
"type": "Redundancy",
"value": 5.7
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [39.72,5.48],
"number_observations_unique": 525,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "Redundancy",
"value": 6.0
},
{
"type": "CC(1/2)",
"value": 0.983
}
]
},
{
"resolution_limits": [1.02,1.00],
"number_observations_unique": 718,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.628
},
{
"type": "R(meas)",
"value": 0.884
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "Redundancy",
"value": 1.3
},
{
"type": "CC(1/2)",
"value": 0.360
}
]
}
]
}