Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "78aa0ee199d6ca71010b381f9f6f8506",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 78.628,
"b": 78.628,
"c": 36.755,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.77120],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.31,1.900],
"number_observations_unique": 9509,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 35.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.700
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 8017,
"number_observations_unique": 582,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.650
},
{
"type": "R(meas)",
"value": 1.714
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 13.800
},
{
"type": "CC(1/2)",
"value": 0.684
}
]
},
{
"resolution_limits": [39.310,9.110],
"number_observations": 2176,
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.007
},
{
"type": "I/SigI",
"value": 83.900
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 18.800
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}