Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "17e1980df70cfbea4c99072c88d47083",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 41.165,
"b": 51.387,
"c": 79.229,
"alpha": 90.0,
"beta": 92.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.110,1.2680],
"number_observations_unique": 87448,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.268],
"number_observations": 26522,
"number_observations_unique": 4101,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.305
},
{
"type": "R(pim)",
"value": 0.118
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 93.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.964
}
]
},
{
"resolution_limits": [43.110,6.940],
"number_observations": 3617,
"number_observations_unique": 571,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}