Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8aeafdb1dbf72ef9d0ad5f67d55722f7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.84,
"b": 58.03,
"c": 114.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.010,1.800],
"number_observations": 211413,
"number_observations_unique": 32780,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.185
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.800],
"number_observations": 15693,
"number_observations_unique": 2401,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.780
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 0.750
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.521
}
]
},
{
"resolution_limits": [29.010,8.050],
"number_observations": 2547,
"number_observations_unique": 430,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}