Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b55cf5a797081deee738c6c3db9827e",
"space_group_name": "I 21 21 21",
"unit_cell": {
"a": 79.696,
"b": 110.207,
"c": 163.413,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54184],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.910,2.900],
"number_observations": 131674,
"number_observations_unique": 16235,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.168
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.080,2.900],
"number_observations": 23356,
"number_observations_unique": 2602,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.659
},
{
"type": "R(meas)",
"value": 1.761
},
{
"type": "R(pim)",
"value": 0.584
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.883
}
]
},
{
"resolution_limits": [21.910,8.700],
"number_observations": 3012,
"number_observations_unique": 618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 40.400
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}