Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d7a050b3e812ac41726fcbb0bb2ae832",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 47.465,
"b": 78.473,
"c": 93.498,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.470,1.790],
"number_observations": 179702,
"number_observations_unique": 32590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 5049,
"number_observations_unique": 1470,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.406
},
{
"type": "R(meas)",
"value": 0.470
},
{
"type": "R(pim)",
"value": 0.228
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 75.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.864
}
]
},
{
"resolution_limits": [47.470,8.950],
"number_observations": 1747,
"number_observations_unique": 331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.100
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}