Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5b321b9478938d069c8427ed0d534084",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.47,
"b": 74.22,
"c": 63.05,
"alpha": 90.00,
"beta": 96.29,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.930,1.730],
"number_observations": 118553,
"number_observations_unique": 35382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.730],
"number_observations": 8233,
"number_observations_unique": 2604,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.996
},
{
"type": "R(meas)",
"value": 1.202
},
{
"type": "R(pim)",
"value": 0.664
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [31.930,7.740],
"number_observations": 1386,
"number_observations_unique": 397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}