Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4cc3fcd9a0e081a692833471f789f007",
"space_group_name": "P 1",
"unit_cell": {
"a": 53.28,
"b": 90.76,
"c": 103.29,
"alpha": 67.22,
"beta": 84.03,
"gamma": 76.91
},
"wavelengths": [0.99900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.890,1.950],
"number_observations": 735719,
"number_observations_unique": 123601,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 51412,
"number_observations_unique": 8945,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.886
},
{
"type": "R(meas)",
"value": 3.172
},
{
"type": "R(pim)",
"value": 1.300
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.371
}
]
},
{
"resolution_limits": [51.890,8.720],
"number_observations": 8364,
"number_observations_unique": 1362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 27.400
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}