Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fb7f303224c2d00cf466a59ee4fd1ee7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 116.346,
"b": 65.030,
"c": 74.264,
"alpha": 90.00,
"beta": 126.14,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.070,1.910],
"number_observations": 145130,
"number_observations_unique": 34966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 9397,
"number_observations_unique": 2312,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.704
},
{
"type": "R(meas)",
"value": 0.810
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.679
}
]
},
{
"resolution_limits": [37.070,8.940],
"number_observations": 1356,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 35.000
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}