Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d74aab3b62dd2d77d492134e78b295c6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.26,
"b": 82.45,
"c": 93.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.950,2.150],
"number_observations": 143261,
"number_observations_unique": 22792,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.136
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 12171,
"number_observations_unique": 1936,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.807
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "R(pim)",
"value": 0.783
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.471
}
]
},
{
"resolution_limits": [39.950,8.860],
"number_observations": 2042,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}