Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c6e6ddcb68f2c67005fbc42614ca482c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.428,
"b": 79.106,
"c": 72.527,
"alpha": 90.0,
"beta": 91.8,
"gamma": 90.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.570,2.000],
"number_observations": 134485,
"number_observations_unique": 42628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 7956,
"number_observations_unique": 2865,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.845
},
{
"type": "R(meas)",
"value": 1.023
},
{
"type": "R(pim)",
"value": 0.567
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 91.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [26.570,8.940],
"number_observations": 1124,
"number_observations_unique": 484,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 40.300
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}