Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "83df81dbf5dbb788888f4958fafc0ebb",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 59.023,
"b": 36.136,
"c": 22.053,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54187],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.820,2.4],
"number_observations_unique": 2003,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.2
},
{
"type": "R(meas)",
"value": 0.233
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 5.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.540,2.410],
"number_observations": 1702,
"number_observations_unique": 269,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.539
},
{
"type": "R(meas)",
"value": 0.589
},
{
"type": "R(pim)",
"value": 0.233
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.795
}
]
},
{
"resolution_limits": [30.820,7.610],
"number_observations": 415,
"number_observations_unique": 82,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
}
]
}