Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "719fc961a8b8169d9dbd1980f078bf66",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 77.92,
"b": 77.92,
"c": 100.02,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.94,1.62],
"number_observations_unique": 45086,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.109
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.4
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 19.4
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.66,1.62],
"number_observations_unique": 3297,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.135
},
{
"type": "R(meas)",
"value": 4.263
},
{
"type": "R(pim)",
"value": 1.028
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 17.4
},
{
"type": "CC(1/2)",
"value": 0.489
}
]
},
{
"resolution_limits": [55.94,7.24],
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 75.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 17.4
},
{
"type": "CC(1/2)",
"value": 1.0
}
]
}
]
}