Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "01bc237f6a7e4c83eb666ffc5a3c3bbb",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 82.654,
"b": 76.638,
"c": 134.206,
"alpha": 90.00,
"beta": 105.27,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.420,2.260],
"number_observations": 255698,
"number_observations_unique": 37963,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "R(meas)",
"value": 0.165
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.260],
"number_observations": 24126,
"number_observations_unique": 3470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.057
},
{
"type": "R(pim)",
"value": 0.398
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [46.420,9.040],
"number_observations": 4175,
"number_observations_unique": 633,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 22.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}