Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8a4d49f09e134163ac8e768a86290ed1",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 68.259,
"b": 67.716,
"c": 138.575,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.280,2.010],
"number_observations": 296141,
"number_observations_unique": 43519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.247
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 21922,
"number_observations_unique": 3137,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.374
},
{
"type": "R(meas)",
"value": 2.564
},
{
"type": "R(pim)",
"value": 0.961
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [69.280,8.990],
"number_observations": 3238,
"number_observations_unique": 583,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 33.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.869
}
]
}
]
}