Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fd2688efe031564f100d72cf5cd281f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.551,
"b": 98.655,
"c": 59.513,
"alpha": 90.00,
"beta": 108.34,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,1.600],
"number_observations": 528003,
"number_observations_unique": 79987,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 27068,
"number_observations_unique": 3948,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.188
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.731
}
]
},
{
"resolution_limits": [49.330,8.760],
"number_observations": 3460,
"number_observations_unique": 516,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}