Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "deebf954b77da74350c031b29038b6c4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 75.806,
"b": 170.578,
"c": 93.485,
"alpha": 90.00,
"beta": 92.86,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.240,2.300],
"number_observations": 728092,
"number_observations_unique": 104870,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.243
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 35630,
"number_observations_unique": 5140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.246
},
{
"type": "R(meas)",
"value": 1.347
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.724
}
]
},
{
"resolution_limits": [49.240,12.600],
"number_observations": 4502,
"number_observations_unique": 657,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}