Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "66680a7730ea1c205daecc902c73324c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.57,
"b": 27.30,
"c": 56.22,
"alpha": 90.0,
"beta": 99.9,
"gamma": 90.0
},
"wavelengths": [0.97622],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.380,1.380],
"number_observations": 146072,
"number_observations_unique": 23379,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 92.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.380],
"number_observations": 4200,
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.127
},
{
"type": "R(meas)",
"value": 1.296
},
{
"type": "R(pim)",
"value": 0.622
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 57.100
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.538
}
]
},
{
"resolution_limits": [55.380,6.170],
"number_observations": 1972,
"number_observations_unique": 324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 45.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}