Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "69c79b1152dcb8cf666d6fcfd4329e69",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.651,
"b": 68.431,
"c": 138.191,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.380,2.010],
"number_observations": 295705,
"number_observations_unique": 43040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.224
},
{
"type": "R(pim)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 21977,
"number_observations_unique": 3085,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.658
},
{
"type": "R(meas)",
"value": 2.867
},
{
"type": "R(pim)",
"value": 1.064
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.383
}
]
},
{
"resolution_limits": [68.380,8.990],
"number_observations": 3208,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}