Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "094a728d4cc8c4bcc0cb36bc85eb099e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.423,
"b": 113.233,
"c": 68.457,
"alpha": 90.000,
"beta": 93.521,
"gamma": 90.000
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.35,2.13],
"number_observations_unique": 46863,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.151
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 10.0
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 6.8
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.19,2.13],
"number_observations_unique": 3828,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.950
},
{
"type": "R(meas)",
"value": 2.306
},
{
"type": "R(pim)",
"value": 0.875
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 99.8
},
{
"type": "Redundancy",
"value": 6.9
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
}
]
}