Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d06f89de33d4d69ae29614049aad3c33",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 53.66,
"b": 104.42,
"c": 153.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.170,2.000],
"number_observations": 418592,
"number_observations_unique": 59232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 30866,
"number_observations_unique": 4321,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.208
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 6.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [43.170,8.940],
"number_observations": 4138,
"number_observations_unique": 752,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 24.900
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}