Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "352f3bcbdadc80ebd58e5eed256a47c0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 64.755,
"b": 58.906,
"c": 95.992,
"alpha": 90.00,
"beta": 89.99,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [53.690,2.000],
"number_observations": 47813,
"number_observations_unique": 27696,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.139
},
{
"type": "R(meas)",
"value": 0.181
},
{
"type": "R(pim)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 4.500
},
{
"type": "Completeness",
"value": 56.800
},
{
"type": "Redundancy",
"value": 1.700
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 5834,
"number_observations_unique": 3843,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.531
},
{
"type": "R(meas)",
"value": 0.700
},
{
"type": "R(pim)",
"value": 0.451
},
{
"type": "I/SigI",
"value": 2.900
},
{
"type": "Completeness",
"value": 54.200
},
{
"type": "Redundancy",
"value": 1.500
},
{
"type": "CC(1/2)",
"value": 0.252
}
]
},
{
"resolution_limits": [53.690,6.330],
"number_observations": 2428,
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 67.100
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}