Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "79806e867030670cff3fc9f1af451515",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.193,
"b": 41.587,
"c": 72.094,
"alpha": 90.0,
"beta": 103.8,
"gamma": 90.0
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [32.180,1.3060],
"number_observations_unique": 57349,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.330,1.310],
"number_observations": 3703,
"number_observations_unique": 2123,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.601
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 73.100
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [32.180,7.150],
"number_observations": 1200,
"number_observations_unique": 383,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 52.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}