Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "018a2d28ee9c47b205268e3c97f4fd66",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.678,
"b": 68.300,
"c": 138.375,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.380,1.800],
"number_observations": 407165,
"number_observations_unique": 60133,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.155
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 25074,
"number_observations_unique": 3603,
"quality_factors": [
{
"type": "R(merge)",
"value": 3.058
},
{
"type": "R(meas)",
"value": 3.302
},
{
"type": "R(pim)",
"value": 1.236
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [138.380,8.820],
"number_observations": 3417,
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 53.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
}
]
}