Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "80fde8fd177f29ac8250051e9d103d53",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 49.518,
"b": 84.793,
"c": 88.257,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03330],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.13,1.58],
"number_observations_unique": 51899,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.151
},
{
"type": "R(meas)",
"value": 0.173
},
{
"type": "R(pim)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 8.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 8.3
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [44.13,8.64],
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 25.5
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.7
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
{
"resolution_limits": [1.60,1.58],
"number_observations_unique": 2527,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.703
},
{
"type": "R(meas)",
"value": 1.937
},
{
"type": "R(pim)",
"value": 0.912
},
{
"type": "I/SigI",
"value": 1.5
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 8.6
},
{
"type": "CC(1/2)",
"value": 0.437
}
]
}
]
}