Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dc37bd62e3323f7bace8e87f54b69e85",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 247.682,
"b": 134.317,
"c": 121.717,
"alpha": 90.00,
"beta": 96.48,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.110,2.770],
"number_observations": 385861,
"number_observations_unique": 100435,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.820,2.770],
"number_observations": 19657,
"number_observations_unique": 4979,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.685
},
{
"type": "R(meas)",
"value": 1.947
},
{
"type": "R(pim)",
"value": 0.965
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.340
}
]
},
{
"resolution_limits": [48.110,15.170],
"number_observations": 1812,
"number_observations_unique": 580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 26.900
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}