Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "128864817ee6a5ce62d2985c6eff23e3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.120,
"b": 86.689,
"c": 196.600,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.2,2.200],
"number_observations_unique": 42660,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.166
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 10.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.270,2.200],
"number_observations": 33908,
"number_observations_unique": 3607,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.012
},
{
"type": "R(meas)",
"value": 1.072
},
{
"type": "R(pim)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 9.400
},
{
"type": "CC(1/2)",
"value": 0.830
}
]
},
{
"resolution_limits": [49.150,9.070],
"number_observations": 5797,
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 8.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}