Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aaca00d2b3bb21a54e905d23f1a22137",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.617,
"b": 62.263,
"c": 48.460,
"alpha": 90.00,
"beta": 90.36,
"gamma": 90.00
},
"wavelengths": [0.98010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.460,1.580],
"number_observations": 203376,
"number_observations_unique": 30705,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.610,1.580],
"number_observations_unique": 1492,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.667
},
{
"type": "R(meas)",
"value": 0.737
},
{
"type": "R(pim)",
"value": 0.305
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [48.460,8.650],
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}