Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "81fb71f0995a96e265bac6e1f845ffc6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 51.81,
"b": 118.49,
"c": 164.84,
"alpha": 90.00,
"beta": 90.21,
"gamma": 90.00
},
"wavelengths": [0.97940],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [96.210,1.820],
"number_observations": 763917,
"number_observations_unique": 171613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 97.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.820],
"number_observations": 39097,
"number_observations_unique": 8590,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.046
},
{
"type": "R(meas)",
"value": 2.328
},
{
"type": "R(pim)",
"value": 1.094
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.546
}
]
},
{
"resolution_limits": [96.210,9.980],
"number_observations": 5440,
"number_observations_unique": 1133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}