Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38e7ccded95b33ed41f0cc542db08811",
"space_group_name": "P 1",
"unit_cell": {
"a": 43.532,
"b": 47.468,
"c": 49.452,
"alpha": 81.421,
"beta": 81.502,
"gamma": 83.599
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.46,1.44],
"number_observations_unique": 44708,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.2
},
{
"type": "Completeness",
"value": 64.1
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [48.46,7.89],
"number_observations_unique": 424,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.017
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.8
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.7
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [1.47,1.44],
"number_observations_unique": 140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.157
},
{
"type": "I/SigI",
"value": 1.9
},
{
"type": "Completeness",
"value": 4.1
},
{
"type": "Redundancy",
"value": 1.2
},
{
"type": "CC(1/2)",
"value": 0.909
}
]
}
]
}