Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0042964ad710b27c821aed24987e313",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.055,
"b": 41.479,
"c": 72.106,
"alpha": 90.00,
"beta": 103.93,
"gamma": 90.00
},
"wavelengths": [0.91770],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.060,1.760],
"number_observations": 325031,
"number_observations_unique": 24162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 19.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.760],
"number_observations": 17108,
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.599
},
{
"type": "R(meas)",
"value": 0.624
},
{
"type": "R(pim)",
"value": 0.172
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 0.941
}
]
},
{
"resolution_limits": [32.060,8.970],
"number_observations": 2639,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 51.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}