Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "12caa29b3bbd289660abc4d6f110da4c",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 155.547,
"b": 167.538,
"c": 48.007,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.770,2.700],
"number_observations": 224016,
"number_observations_unique": 35536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 15518,
"number_observations_unique": 2566,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.000
},
{
"type": "R(meas)",
"value": 1.095
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [83.770,12.070],
"number_observations": 2835,
"number_observations_unique": 483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}