Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f2743ff9e54d348434363bd5408bb23",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.829,
"b": 80.429,
"c": 117.208,
"alpha": 90.00,
"beta": 90.67,
"gamma": 90.00
},
"wavelengths": [1.03318],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.430,2.050],
"number_observations": 337857,
"number_observations_unique": 55739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.184
},
{
"type": "R(meas)",
"value": 0.202
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 21884,
"number_observations_unique": 4159,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.268
},
{
"type": "R(meas)",
"value": 1.415
},
{
"type": "R(pim)",
"value": 0.614
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.602
}
]
},
{
"resolution_limits": [80.430,8.940],
"number_observations": 4601,
"number_observations_unique": 734,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}