Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b1d52117957fffa8abcc638f2f86ccd0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.040,
"b": 79.377,
"c": 136.045,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.330,1.750],
"number_observations": 1046638,
"number_observations_unique": 78334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.145
},
{
"type": "R(pim)",
"value": 0.039
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 58915,
"number_observations_unique": 4258,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.624
},
{
"type": "R(meas)",
"value": 1.685
},
{
"type": "R(pim)",
"value": 0.448
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.704
}
]
},
{
"resolution_limits": [49.330,9.090],
"number_observations": 7539,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 58.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}