Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7f035ae10289715e456fb0af88cc06f",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 67.54,
"b": 91.35,
"c": 98.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.530,1.830],
"number_observations": 361537,
"number_observations_unique": 27292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.830],
"number_observations": 27121,
"number_observations_unique": 1983,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.848
},
{
"type": "R(meas)",
"value": 1.919
},
{
"type": "R(pim)",
"value": 0.517
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.700
},
{
"type": "CC(1/2)",
"value": 0.663
}
]
},
{
"resolution_limits": [36.530,8.180],
"number_observations": 3725,
"number_observations_unique": 350,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 50.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 10.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}