Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5965ee2938b44853c74dab5bb188d78d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 114.38,
"b": 210.29,
"c": 118.20,
"alpha": 90.00,
"beta": 100.46,
"gamma": 90.00
},
"wavelengths": [0.97920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.590,5.500],
"number_observations": 51879,
"number_observations_unique": 17434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.125
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.939
}
]
},
"refln_shells": [
{
"resolution_limits": [6.150,5.500],
"number_observations": 14295,
"number_observations_unique": 4931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.789
},
{
"type": "R(pim)",
"value": 0.544
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.553
}
]
},
{
"resolution_limits": [49.590,12.300],
"number_observations": 4670,
"number_observations_unique": 1565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.916
}
]
}
]
}