Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f03958206a08cc9509ff4b3129e310d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 95.528,
"b": 158.389,
"c": 111.963,
"alpha": 90.00,
"beta": 101.93,
"gamma": 90.00
},
"wavelengths": [0.97946],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.600,3.260],
"number_observations": 174911,
"number_observations_unique": 49878,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.132
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
},
"refln_shells": [
{
"resolution_limits": [3.370,3.260],
"number_observations": 15021,
"number_observations_unique": 4389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "R(meas)",
"value": 0.969
},
{
"type": "R(pim)",
"value": 0.512
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.646
}
]
},
{
"resolution_limits": [39.600,13.050],
"number_observations": 2497,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.056
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.700
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}