Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2faefd984764014ef8a8a7a65cac03c6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.657,
"b": 40.944,
"c": 51.412,
"alpha": 90.00,
"beta": 100.58,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.940,1.570],
"number_observations": 105275,
"number_observations_unique": 15837,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.570],
"number_observations": 5189,
"number_observations_unique": 771,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.235
},
{
"type": "R(meas)",
"value": 1.337
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.688
}
]
},
{
"resolution_limits": [40.940,8.620],
"number_observations": 613,
"number_observations_unique": 109,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 73.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}