Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7126fc3d3575f2ba09fab1734482565d",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 91.446,
"b": 91.446,
"c": 32.627,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.720,2.600],
"number_observations": 50649,
"number_observations_unique": 5008,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.209
},
{
"type": "R(meas)",
"value": 0.221
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 6012,
"number_observations_unique": 611,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.408
},
{
"type": "R(meas)",
"value": 1.486
},
{
"type": "R(pim)",
"value": 0.471
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.661
}
]
},
{
"resolution_limits": [45.720,9.010],
"number_observations": 1374,
"number_observations_unique": 138,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}