Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c60e5dce68c1cc3c3072c7605bdec5e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.036,
"b": 34.083,
"c": 59.248,
"alpha": 90.00,
"beta": 94.82,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.090,1.200],
"number_observations": 207633,
"number_observations_unique": 38898,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 84.000
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 844,
"number_observations_unique": 587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.975
},
{
"type": "R(meas)",
"value": 1.349
},
{
"type": "R(pim)",
"value": 0.927
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 26.500
},
{
"type": "Redundancy",
"value": 1.400
},
{
"type": "CC(1/2)",
"value": 0.273
}
]
},
{
"resolution_limits": [34.090,6.570],
"number_observations": 1895,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}