Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "19b82b6c4ea998550eced73f805864ec",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.167,
"b": 54.665,
"c": 122.049,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.020,1.350],
"number_observations": 434274,
"number_observations_unique": 67147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.370,1.350],
"number_observations": 21740,
"number_observations_unique": 3308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.713
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "R(pim)",
"value": 0.297
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [61.020,7.390],
"number_observations": 2781,
"number_observations_unique": 497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}