Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "42d559d4544b749f2ed3fca1d59c2692",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 69.531,
"b": 143.658,
"c": 193.620,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.63000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.440,2.800],
"number_observations": 177605,
"number_observations_unique": 45859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.207
},
{
"type": "R(meas)",
"value": 0.236
},
{
"type": "R(pim)",
"value": 0.111
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.900,2.800],
"number_observations": 9578,
"number_observations_unique": 3489,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.209
},
{
"type": "R(meas)",
"value": 2.604
},
{
"type": "R(pim)",
"value": 1.343
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 73.300
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.256
}
]
},
{
"resolution_limits": [29.440,10.840],
"number_observations": 2970,
"number_observations_unique": 830,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}