Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ce8bc60ad161fdab54c1b4dc06c2bb5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 169.304,
"b": 176.193,
"c": 176.952,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [176.950,2.360],
"number_observations": 2933251,
"number_observations_unique": 216725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.199
},
{
"type": "R(meas)",
"value": 0.207
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.400,2.360],
"number_observations": 134625,
"number_observations_unique": 10655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.783
},
{
"type": "R(pim)",
"value": 0.220
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 12.600
},
{
"type": "CC(1/2)",
"value": 0.902
}
]
},
{
"resolution_limits": [176.950,12.930],
"number_observations": 17793,
"number_observations_unique": 1503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 21.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}