Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8ca58199c998f68b37883d65a17e2341",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.40,
"b": 41.62,
"c": 72.33,
"alpha": 90.000,
"beta": 104.494,
"gamma": 90.000
},
"wavelengths": [0.97170],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.80,1.34],
"number_observations_unique": 54690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 17.37
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 6.1
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.38,1.34],
"number_observations_unique": 3942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 2.29
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 4.59
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
}
]
}