Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ecb55f82c126174bb1f30e0ad3cc7330",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 78.80,
"b": 67.14,
"c": 81.43,
"alpha": 90.00,
"beta": 99.45,
"gamma": 90.00
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.770,2.200],
"number_observations_unique": 38958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "R(meas)",
"value": 0.095
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.482
},
{
"type": "R(meas)",
"value": 0.580
},
{
"type": "R(pim)",
"value": 0.313
},
{
"type": "Completeness",
"value": 81.900
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.587
}
]
},
{
"resolution_limits": [51.770,9.070],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}