Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b11b187b40af78b8ac82987737eeeb81",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.30,
"b": 72.64,
"c": 65.71,
"alpha": 90.00,
"beta": 99.72,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [72.640,2.600],
"number_observations": 72119,
"number_observations_unique": 12536,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.215
},
{
"type": "R(pim)",
"value": 0.097
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 90.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.720,2.600],
"number_observations": 8584,
"number_observations_unique": 1548,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.749
},
{
"type": "R(pim)",
"value": 0.801
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 92.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.402
}
]
},
{
"resolution_limits": [72.640,9.010],
"number_observations": 1812,
"number_observations_unique": 307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 86.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}