Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f39a83699483ecde4f40a07e28cf09c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.812,
"b": 99.570,
"c": 114.089,
"alpha": 90.000,
"beta": 102.768,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [74.165,2.192],
"number_observations_unique": 83162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 7.5
},
{
"type": "Completeness",
"value": 98
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.229,2.192],
"number_observations_unique": 3576,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.061
},
{
"type": "R(meas)",
"value": 1.346
},
{
"type": "Completeness",
"value": 84.4
},
{
"type": "Redundancy",
"value": 2.2
},
{
"type": "CC(1/2)",
"value": 0.347
}
]
}
]
}