Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "84584ab4acb3f5ecd2484b30314a035e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.65,
"b": 79.48,
"c": 89.49,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91589],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [79.480,1.370],
"number_observations": 614362,
"number_observations_unique": 94464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.410,1.370],
"number_observations": 41587,
"number_observations_unique": 6901,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.671
},
{
"type": "R(meas)",
"value": 1.831
},
{
"type": "R(pim)",
"value": 0.741
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
},
{
"resolution_limits": [79.480,6.130],
"number_observations": 7500,
"number_observations_unique": 1205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}