Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "500cdf23720fc3bcb7d37e01302acb1c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 91.441,
"b": 142.371,
"c": 99.023,
"alpha": 90.00,
"beta": 117.17,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [88.100,1.670],
"number_observations": 1330397,
"number_observations_unique": 259225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 13.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.760,1.670],
"number_observations": 151816,
"number_observations_unique": 36285,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.186
},
{
"type": "R(meas)",
"value": 1.351
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 4.200
},
{
"type": "CC(1/2)",
"value": 0.460
}
]
},
{
"resolution_limits": [88.100,5.270],
"number_observations": 43412,
"number_observations_unique": 8389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.025
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 47.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}