Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97482184476e372028bf8f1b8a7dfc76",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 49.229,
"b": 44.241,
"c": 90.530,
"alpha": 90.00,
"beta": 99.06,
"gamma": 90.00
},
"wavelengths": [0.92205],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.85,1.95],
"number_observations_unique": 28422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 16.7
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 6.5
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [45.85,8.94],
"number_observations_unique": 329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 30.2
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 5.6
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.00,1.95],
"number_observations_unique": 1998,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.298
},
{
"type": "R(pim)",
"value": 0.177
},
{
"type": "I/SigI",
"value": 4.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 5.0
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
}
]
}