Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9da1156702d26817631bd9875833a7a3",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 111.467,
"b": 110.651,
"c": 116.475,
"alpha": 90.00,
"beta": 115.06,
"gamma": 90.00
},
"wavelengths": [1.12000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.000,3.100],
"number_observations": 212612,
"number_observations_unique": 46570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [3.210,3.100],
"number_observations": 20417,
"number_observations_unique": 4541,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.472
},
{
"type": "R(meas)",
"value": 1.668
},
{
"type": "R(pim)",
"value": 0.769
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.374
}
]
},
{
"resolution_limits": [49.000,12.010],
"number_observations": 3496,
"number_observations_unique": 835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}