Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "35f90f42b49a2bbd21192aa5f282e832",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.607,
"b": 71.607,
"c": 197.037,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.800,1.670],
"number_observations": 1608590,
"number_observations_unique": 60466,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.264
},
{
"type": "R(meas)",
"value": 0.269
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 26.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.700,1.670],
"number_observations": 76533,
"number_observations_unique": 2998,
"quality_factors": [
{
"type": "R(merge)",
"value": 7.424
},
{
"type": "R(meas)",
"value": 7.574
},
{
"type": "R(pim)",
"value": 1.486
},
{
"type": "I/SigI",
"value": 0.400
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 25.500
},
{
"type": "CC(1/2)",
"value": 0.497
}
]
},
{
"resolution_limits": [35.800,9.000],
"number_observations": 9349,
"number_observations_unique": 489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 55.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 19.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}