Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "214c5b3601b3c2db21572aa6302369d0",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.433,
"b": 71.433,
"c": 150.448,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.400,1.140],
"number_observations": 1174472,
"number_observations_unique": 122003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.086
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 86.300
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.140],
"number_observations": 680,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.089
},
{
"type": "R(meas)",
"value": 2.867
},
{
"type": "R(pim)",
"value": 1.954
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 8.300
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.100
}
]
},
{
"resolution_limits": [29.400,6.260],
"number_observations": 12815,
"number_observations_unique": 1023,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.009
},
{
"type": "I/SigI",
"value": 92.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}