Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bbec0e4363ce11366ac8b3abc922b12f",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.909,
"b": 64.192,
"c": 74.602,
"alpha": 90.00,
"beta": 125.79,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.770,2.000],
"number_observations": 125861,
"number_observations_unique": 30272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 8749,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.625
},
{
"type": "R(meas)",
"value": 0.717
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.816
}
]
},
{
"resolution_limits": [34.770,8.950],
"number_observations": 1279,
"number_observations_unique": 347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 45.300
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}