Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "74af9b574031c9be7fd336b03b6260f6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.306,
"b": 47.717,
"c": 70.640,
"alpha": 90.00,
"beta": 90.83,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.640,1.300],
"number_observations": 398626,
"number_observations_unique": 69655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.320,1.300],
"number_observations_unique": 2274,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.107
},
{
"type": "R(meas)",
"value": 1.394
},
{
"type": "R(pim)",
"value": 0.821
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 64.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.417
}
]
},
{
"resolution_limits": [70.640,7.120],
"number_observations_unique": 480,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.106
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 37.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.949
}
]
}
]
}