Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14ead2761a173a9ad29ce6254cfd2230",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.891,
"b": 53.030,
"c": 44.352,
"alpha": 90.00,
"beta": 102.46,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.000,1.920],
"number_observations": 68091,
"number_observations_unique": 19185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.132
},
{
"type": "R(pim)",
"value": 0.068
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.920],
"number_observations": 4375,
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.347
},
{
"type": "R(meas)",
"value": 1.571
},
{
"type": "R(pim)",
"value": 0.795
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 92.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.386
}
]
},
{
"resolution_limits": [55.000,9.020],
"number_observations": 794,
"number_observations_unique": 207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}