Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4167e4e80e7cbccd0effac6be33baca4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 88.888,
"b": 212.626,
"c": 98.819,
"alpha": 90.00,
"beta": 112.81,
"gamma": 90.00
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.610,2.300],
"number_observations": 1060197,
"number_observations_unique": 149396,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.220
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "R(pim)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.300],
"number_observations": 52519,
"number_observations_unique": 7391,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.829
},
{
"type": "R(meas)",
"value": 1.972
},
{
"type": "R(pim)",
"value": 0.733
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.618
}
]
},
{
"resolution_limits": [48.610,12.600],
"number_observations": 6035,
"number_observations_unique": 923,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}