Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "20a7ad81e053c1e86e10c8d2c77a879a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 138.182,
"b": 65.627,
"c": 84.454,
"alpha": 90.00,
"beta": 93.58,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.290,1.780],
"number_observations": 232179,
"number_observations_unique": 71265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.159
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.780],
"number_observations": 13925,
"number_observations_unique": 5190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.840
},
{
"type": "R(meas)",
"value": 1.061
},
{
"type": "R(pim)",
"value": 0.637
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.357
}
]
},
{
"resolution_limits": [84.290,7.960],
"number_observations": 2848,
"number_observations_unique": 869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 12.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}