Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f73971545bb2d884d29e34ef9291913e",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 44.069,
"b": 51.279,
"c": 78.983,
"alpha": 90.00,
"beta": 91.82,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.050,2.010],
"number_observations": 167452,
"number_observations_unique": 23479,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.297
},
{
"type": "R(meas)",
"value": 0.320
},
{
"type": "R(pim)",
"value": 0.119
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.070,2.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.894
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.828
}
]
},
{
"resolution_limits": [44.050,9.010],
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}