Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1544f9a93595a6cb5bda087476b0c461",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 33.362,
"b": 47.692,
"c": 97.612,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03320],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.450],
"number_observations": 180115,
"number_observations_unique": 28438,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.480,1.450],
"number_observations": 7746,
"number_observations_unique": 1407,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.771
},
{
"type": "R(meas)",
"value": 0.853
},
{
"type": "R(pim)",
"value": 0.359
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.758
}
]
},
{
"resolution_limits": [48.810,7.810],
"number_observations": 1243,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 25.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}