Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "aa90dce0944f9b8a8ddd805da655b316",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 36.781,
"b": 40.648,
"c": 56.319,
"alpha": 90.000,
"beta": 98.102,
"gamma": 90.000
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.650,1.600],
"number_observations": 65453,
"number_observations_unique": 21226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.620,1.600],
"number_observations": 1291,
"number_observations_unique": 746,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.588
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.518
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 68.500
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.658
}
]
},
{
"resolution_limits": [40.650,8.750],
"number_observations": 461,
"number_observations_unique": 153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 37.500
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}