Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6a8cc9f318d7aece9853c35f614878ec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 58.916,
"b": 93.073,
"c": 96.936,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.98,2.30],
"number_observations_unique": 24362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.212
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 11.8
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 21.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [96.98,8.91],
"number_observations_unique": 501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 39.2
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 18.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.38,2.30],
"number_observations_unique": 2359,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.069
},
{
"type": "R(meas)",
"value": 4.252
},
{
"type": "R(pim)",
"value": 1.224
},
{
"type": "I/SigI",
"value": 0.9
},
{
"type": "Completeness",
"value": 100
},
{
"type": "Redundancy",
"value": 22.0
},
{
"type": "CC(1/2)",
"value": 0.599
}
]
}
]
}