Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6385c561d47b379e7c2fde12bdccda5e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.941,
"b": 63.286,
"c": 99.786,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00003],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.940,1.500],
"number_observations": 619671,
"number_observations_unique": 47455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 30376,
"number_observations_unique": 2335,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.184
},
{
"type": "R(meas)",
"value": 1.233
},
{
"type": "R(pim)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.788
}
]
},
{
"resolution_limits": [45.940,8.220],
"number_observations": 4132,
"number_observations_unique": 361,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 82.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}