Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "357573f09d4e6e3bf942fcb503a3cefd",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.385,
"b": 98.449,
"c": 59.120,
"alpha": 90.00,
"beta": 108.28,
"gamma": 90.00
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.400,1.700],
"number_observations": 747893,
"number_observations_unique": 66176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 22.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 11.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 24252,
"number_observations_unique": 3513,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.319
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [46.400,9.000],
"number_observations": 5364,
"number_observations_unique": 467,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 91.500
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}