Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddb504736192c06d8b67641dc1ad2b4f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 74.738,
"b": 108.648,
"c": 170.888,
"alpha": 90.000,
"beta": 90.023,
"gamma": 90.000
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.84,2.66],
"number_observations_unique": 155180,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.04598
},
{
"type": "R(meas)",
"value": 0.06503
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 8.69
},
{
"type": "Completeness",
"value": 99.68
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.755,2.66],
"number_observations_unique": 15165,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.3283
},
{
"type": "R(meas)",
"value": 0.4643
},
{
"type": "R(pim)",
"value": 0.3283
},
{
"type": "I/SigI",
"value": 2.03
},
{
"type": "Completeness",
"value": 98.85
},
{
"type": "Redundancy",
"value": 2.0
},
{
"type": "CC(1/2)",
"value": 0.872
}
]
}
]
}