Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0d33d87c4c9d23045cd889383e4f66a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.937,
"b": 53.895,
"c": 69.751,
"alpha": 90.00,
"beta": 91.62,
"gamma": 90.00
},
"wavelengths": [0.97960],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.920,1.600],
"number_observations": 86303,
"number_observations_unique": 40243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.725
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.604
}
]
},
{
"resolution_limits": [42.920,8.760],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "Completeness",
"value": 90.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}