Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71cab601827870073352cbd6ffb0ab50",
"space_group_name": "P 65 2 2",
"unit_cell": {
"a": 107.160,
"b": 107.160,
"c": 205.589,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.620,1.750],
"number_observations": 1473712,
"number_observations_unique": 70896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.125
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 27.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 75685,
"number_observations_unique": 3828,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(meas)",
"value": 1.169
},
{
"type": "R(pim)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 3.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 19.800
},
{
"type": "CC(1/2)",
"value": 0.841
}
]
},
{
"resolution_limits": [29.620,9.090],
"number_observations": 9987,
"number_observations_unique": 613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.006
},
{
"type": "I/SigI",
"value": 108.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 16.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}