Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3838afe92cf842cfcb3619e50f6fa12d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 77.099,
"b": 155.963,
"c": 78.352,
"alpha": 90.0,
"beta": 100.2,
"gamma": 90.0
},
"wavelengths": [0.92010],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.490,2.450],
"number_observations": 350595,
"number_observations_unique": 66842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.510,2.450],
"number_observations": 23252,
"number_observations_unique": 4452,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.378
},
{
"type": "R(meas)",
"value": 2.644
},
{
"type": "R(pim)",
"value": 1.144
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.428
}
]
},
{
"resolution_limits": [47.490,11.490],
"number_observations": 3412,
"number_observations_unique": 670,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.077
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 19.100
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}