Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e16124cc1f84e937b8577497a346a0ca",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 54.489,
"b": 61.438,
"c": 74.165,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.430,2.000],
"number_observations": 397044,
"number_observations_unique": 17478,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.259
},
{
"type": "R(meas)",
"value": 0.263
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 23.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 22.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 19036,
"number_observations_unique": 1261,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.819
},
{
"type": "R(meas)",
"value": 1.881
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 15.100
},
{
"type": "CC(1/2)",
"value": 0.762
}
]
},
{
"resolution_limits": [37.430,8.940],
"number_observations": 7289,
"number_observations_unique": 239,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 92.900
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 30.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}