Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fac713b14fbe47d0a6a91a30856a729c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 101.424,
"b": 102.108,
"c": 126.690,
"alpha": 90.00,
"beta": 106.46,
"gamma": 90.00
},
"wavelengths": [0.97910],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [121.500,1.7370],
"number_observations_unique": 251763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.770,1.740],
"number_observations": 40513,
"number_observations_unique": 11559,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.216
},
{
"type": "R(meas)",
"value": 1.431
},
{
"type": "R(pim)",
"value": 0.742
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 92.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.441
}
]
},
{
"resolution_limits": [121.500,9.510],
"number_observations": 6174,
"number_observations_unique": 1596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.100
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}