Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "50af344c677923f673d055f21908b6b4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 81.162,
"b": 49.539,
"c": 114.910,
"alpha": 90.00,
"beta": 94.89,
"gamma": 90.00
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [114.540,1.970],
"number_observations": 223322,
"number_observations_unique": 64393,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.156
},
{
"type": "R(meas)",
"value": 0.184
},
{
"type": "R(pim)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.020,1.970],
"number_observations": 16121,
"number_observations_unique": 4504,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.715
},
{
"type": "R(meas)",
"value": 2.021
},
{
"type": "R(pim)",
"value": 1.060
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [114.540,8.830],
"number_observations": 2459,
"number_observations_unique": 799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 45.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}