Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dda5256a6b2a144e71c39dfcae00ca3d",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 57.327,
"b": 70.971,
"c": 75.640,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00068],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.690,1.800],
"number_observations": 272094,
"number_observations_unique": 26230,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.098
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 13730,
"number_observations_unique": 1675,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.566
},
{
"type": "R(meas)",
"value": 0.603
},
{
"type": "R(pim)",
"value": 0.203
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [45.690,9.000],
"number_observations": 2982,
"number_observations_unique": 287,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 43.700
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}