Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "034d26b481f885efb22ac552f39d72bd",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 81.399,
"b": 96.701,
"c": 57.735,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.970,2.070],
"number_observations": 81259,
"number_observations_unique": 14159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.089
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.120,2.070],
"number_observations": 4031,
"number_observations_unique": 980,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.483
},
{
"type": "R(meas)",
"value": 0.547
},
{
"type": "R(pim)",
"value": 0.252
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 88.700
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [29.970,9.000],
"number_observations": 1229,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 37.700
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}