Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "105260719e26cf7c2203a28b4cadcb05",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 97.321,
"b": 106.679,
"c": 114.752,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.34138],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.95,2.67],
"number_observations_unique": 34625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 12.9
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 14.1
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [35.95,8.86],
"number_observations_unique": 1033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "Redundancy",
"value": 12.6
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
{
"resolution_limits": [2.80,2.67],
"number_observations_unique": 4549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.919
},
{
"type": "R(meas)",
"value": 0.999
},
{
"type": "R(pim)",
"value": 0.388
},
{
"type": "Redundancy",
"value": 12.3
},
{
"type": "CC(1/2)",
"value": 0.876
}
]
}
]
}