Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "77bfb4963e4ac3ae91e0ad914b1bb292",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 41.193,
"b": 46.242,
"c": 57.423,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.240,1.280],
"number_observations": 370858,
"number_observations_unique": 29131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.300,1.280],
"number_observations": 15462,
"number_observations_unique": 1311,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.400
},
{
"type": "R(meas)",
"value": 1.463
},
{
"type": "R(pim)",
"value": 0.421
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.732
}
]
},
{
"resolution_limits": [46.240,6.990],
"number_observations": 2493,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 58.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}