Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "97f9cf1bd9cd1e83fb501ea0ef93636b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.146,
"b": 53.167,
"c": 44.267,
"alpha": 90.00,
"beta": 101.66,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.400,1.830],
"number_observations": 84945,
"number_observations_unique": 22904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.084
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.930,1.830],
"number_observations": 12799,
"number_observations_unique": 3333,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.619
},
{
"type": "R(meas)",
"value": 1.878
},
{
"type": "R(pim)",
"value": 0.941
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.455
}
]
},
{
"resolution_limits": [55.400,5.780],
"number_observations": 2683,
"number_observations_unique": 763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}