Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1b7fcb289fe978ec2aea6d85dad7f4c9",
"space_group_name": "P 3 2 1",
"unit_cell": {
"a": 125.26,
"b": 125.26,
"c": 41.31,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.96861],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [62.630,1.920],
"number_observations": 285425,
"number_observations_unique": 28577,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 20731,
"number_observations_unique": 2091,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.641
},
{
"type": "R(meas)",
"value": 1.731
},
{
"type": "R(pim)",
"value": 0.548
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.739
}
]
},
{
"resolution_limits": [62.630,8.590],
"number_observations": 3233,
"number_observations_unique": 356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 52.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}