Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d46ccd9ae57e4ec3ad4edf4ea9c0a5db",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 122.406,
"b": 118.705,
"c": 222.317,
"alpha": 90.00,
"beta": 90.03,
"gamma": 90.00
},
"wavelengths": [0.97890],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.310,2.8300],
"number_observations_unique": 148607,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.186
},
{
"type": "R(meas)",
"value": 0.200
},
{
"type": "R(pim)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.880,2.840],
"number_observations": 45644,
"number_observations_unique": 6900,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.598
},
{
"type": "R(meas)",
"value": 3.904
},
{
"type": "R(pim)",
"value": 1.492
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 92.800
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.282
}
]
},
{
"resolution_limits": [82.310,15.530],
"number_observations": 6204,
"number_observations_unique": 965,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 30.600
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}