Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ac4afed1f4b6bc93cc8c7b7da2c87ef",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.173,
"b": 74.740,
"c": 77.250,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.1200,1.900],
"number_observations_unique": 30122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 14.300
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 15012,
"number_observations_unique": 1912,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.701
},
{
"type": "R(meas)",
"value": 1.817
},
{
"type": "R(pim)",
"value": 0.634
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.725
}
]
},
{
"resolution_limits": [49.120,9.110],
"number_observations": 2200,
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 37.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}