Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f95a357170acd405f4b6ca2c783bca98",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 37.317,
"b": 33.628,
"c": 60.369,
"alpha": 90.00,
"beta": 95.69,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.630,1.290],
"number_observations": 201635,
"number_observations_unique": 35712,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.096
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.310,1.290],
"number_observations": 2661,
"number_observations_unique": 981,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.539
},
{
"type": "R(meas)",
"value": 1.920
},
{
"type": "R(pim)",
"value": 1.115
},
{
"type": "I/SigI",
"value": 0.100
},
{
"type": "Completeness",
"value": 53.700
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.190
}
]
},
{
"resolution_limits": [33.630,7.060],
"number_observations": 1503,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 43.000
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}