Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e20e14b1542efb07a72c3650ea3bbbc9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 76.449,
"b": 44.153,
"c": 68.326,
"alpha": 90.00,
"beta": 90.05,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.330,1.700],
"number_observations": 169847,
"number_observations_unique": 25261,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.067
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 13.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 8447,
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.616
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.860
}
]
},
{
"resolution_limits": [68.330,9.000],
"number_observations": 1144,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 31.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}