Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "391f4d83cd45a520544922fed7debf36",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 32.966,
"b": 69.267,
"c": 115.060,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.670,1.700],
"number_observations": 309119,
"number_observations_unique": 28926,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 15.400
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 10.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 15273,
"number_observations_unique": 1386,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.816
},
{
"type": "R(pim)",
"value": 0.249
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 88.600
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.840
}
]
},
{
"resolution_limits": [29.670,9.000],
"number_observations": 1625,
"number_observations_unique": 198,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 29.200
},
{
"type": "Completeness",
"value": 77.100
},
{
"type": "Redundancy",
"value": 8.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}