Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dda76c660a3723c270eb9f85b6942a8d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.191,
"b": 41.220,
"c": 72.260,
"alpha": 90.00,
"beta": 104.25,
"gamma": 90.00
},
"wavelengths": [0.97934],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30,1.20],
"number_observations_unique": 74142,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 12.8
},
{
"type": "Completeness",
"value": 98.2
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.22,1.20],
"number_observations_unique": 3614,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.337
},
{
"type": "R(meas)",
"value": 0.394
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 4.1
},
{
"type": "Completeness",
"value": 96.3
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.881
}
]
}
]
}