Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "95017782df333d3f036d2189b5de3d9e",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.96,
"b": 57.40,
"c": 49.75,
"alpha": 90.00,
"beta": 112.42,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.890,2.700],
"number_observations": 25099,
"number_observations_unique": 7324,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.174
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.770,2.700],
"number_observations": 2026,
"number_observations_unique": 560,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.728
},
{
"type": "R(meas)",
"value": 0.855
},
{
"type": "R(pim)",
"value": 0.446
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.597
}
]
},
{
"resolution_limits": [48.890,12.080],
"number_observations": 262,
"number_observations_unique": 90,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}