Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20e8b20c6ec877920e99724c424afbcb",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 62.468,
"b": 90.149,
"c": 102.257,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [102.260,2.790],
"number_observations": 91363,
"number_observations_unique": 14931,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.279
},
{
"type": "R(meas)",
"value": 0.306
},
{
"type": "R(pim)",
"value": 0.123
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
"refln_shells": [
{
"resolution_limits": [2.940,2.790],
"number_observations": 12424,
"number_observations_unique": 2069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.924
},
{
"type": "R(meas)",
"value": 1.017
},
{
"type": "R(pim)",
"value": 0.417
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [102.260,8.820],
"number_observations": 2876,
"number_observations_unique": 555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.111
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
}
]
}