Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "266b1a12ad46a606e8e77079ac850dc2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.654,
"b": 33.524,
"c": 60.693,
"alpha": 90.00,
"beta": 96.86,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.380,1.480],
"number_observations": 164523,
"number_observations_unique": 25356,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.107
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 6207,
"number_observations_unique": 1239,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.541
},
{
"type": "R(meas)",
"value": 2.845
},
{
"type": "R(pim)",
"value": 1.261
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.212
}
]
},
{
"resolution_limits": [37.380,8.110],
"number_observations": 934,
"number_observations_unique": 181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.078
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 52.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}