Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2f4829de10ffd08ed095e89180149af9",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 61.683,
"b": 106.252,
"c": 27.904,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.250,1.700],
"number_observations": 268092,
"number_observations_unique": 21006,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.245
},
{
"type": "R(meas)",
"value": 0.255
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 9.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 13244,
"number_observations_unique": 1077,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.040
},
{
"type": "R(meas)",
"value": 2.128
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.566
}
]
},
{
"resolution_limits": [40.250,9.000],
"number_observations": 1886,
"number_observations_unique": 186,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.000
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 10.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}