Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0d016db2bfde97b97abbf3e25e03d308",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.552,
"b": 71.552,
"c": 150.709,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.450,1.710],
"number_observations": 561346,
"number_observations_unique": 42941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.740,1.710],
"number_observations": 25413,
"number_observations_unique": 2135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.911
},
{
"type": "R(meas)",
"value": 0.951
},
{
"type": "R(pim)",
"value": 0.264
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [29.450,9.060],
"number_observations": 3993,
"number_observations_unique": 358,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 113.400
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}