Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f162d672731971574ea4d5cfcb31980",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 26.240,
"b": 46.982,
"c": 46.527,
"alpha": 90.00,
"beta": 103.26,
"gamma": 90.00
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.980,1.550],
"number_observations": 50783,
"number_observations_unique": 15917,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 20.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.550],
"number_observations": 1720,
"number_observations_unique": 725,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.181
},
{
"type": "R(meas)",
"value": 0.231
},
{
"type": "R(pim)",
"value": 0.140
},
{
"type": "I/SigI",
"value": 4.100
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
},
{
"resolution_limits": [46.980,8.490],
"number_observations": 361,
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.024
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 46.200
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}