Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a15088deccdef0f9c5be3de482e830ec",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 64.632,
"b": 64.632,
"c": 113.207,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.700,2.170],
"number_observations": 136161,
"number_observations_unique": 13334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 10.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.240,2.170],
"number_observations": 6391,
"number_observations_unique": 1108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.892
},
{
"type": "R(meas)",
"value": 0.978
},
{
"type": "R(pim)",
"value": 0.392
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.878
}
]
},
{
"resolution_limits": [45.700,8.950],
"number_observations": 1822,
"number_observations_unique": 244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 79.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}