Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "c83f42786a2897c2b5f919b58639af6c",
"space_group_name": "P 61",
"unit_cell": {
"a": 83.775,
"b": 83.775,
"c": 198.935,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.03329],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.95,2.16],
"number_observations_unique": 42267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.120
},
{
"type": "R(meas)",
"value": 0.138
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [48.95,8.91],
"number_observations_unique": 630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 35.1
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 7.8
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [2.23,2.16],
"number_observations_unique": 3633,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.067
},
{
"type": "R(meas)",
"value": 2.474
},
{
"type": "R(pim)",
"value": 1.336
},
{
"type": "I/SigI",
"value": 1.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
}
]
}