Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8c6053b4d909bee96fe9272cd4b073b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 56.177,
"b": 60.744,
"c": 92.913,
"alpha": 90.00,
"beta": 92.02,
"gamma": 90.00
},
"wavelengths": [0.98700],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.810,1.500],
"number_observations": 379765,
"number_observations_unique": 99767,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 8.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.500],
"number_observations": 17674,
"number_observations_unique": 4713,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.586
},
{
"type": "R(meas)",
"value": 1.846
},
{
"type": "R(pim)",
"value": 0.933
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.333
}
]
},
{
"resolution_limits": [48.810,8.220],
"number_observations": 2220,
"number_observations_unique": 647,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 39.600
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}