Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b4019a93049cbc0cc20b952efa755a52",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.486,
"b": 45.302,
"c": 83.187,
"alpha": 90.0,
"beta": 102.4,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.370,1.890],
"number_observations": 125030,
"number_observations_unique": 36694,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 13.800
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.890],
"number_observations": 9095,
"number_observations_unique": 2630,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.709
},
{
"type": "R(meas)",
"value": 0.841
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.612
}
]
},
{
"resolution_limits": [28.370,8.450],
"number_observations": 1491,
"number_observations_unique": 442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 62.900
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}