Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "544e3857acc2f8f4eaf560e6807063ae",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.574,
"b": 79.007,
"c": 74.039,
"alpha": 90.00,
"beta": 92.46,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.00,1.50],
"number_observations_unique": 78069,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.0
},
{
"type": "Completeness",
"value": 99.7
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [54.00,8.22],
"number_observations_unique": 500,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [1.53,1.50],
"number_observations_unique": 3867,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "Redundancy",
"value": 3.5
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
}
]
}