Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "276204f6f21ad12aec98843bb53e6b58",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.002,
"b": 69.336,
"c": 57.714,
"alpha": 90.00,
"beta": 92.74,
"gamma": 90.00
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [69.350,1.420],
"number_observations": 508607,
"number_observations_unique": 80097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.440,1.420],
"number_observations": 17217,
"number_observations_unique": 3896,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.748
},
{
"type": "R(meas)",
"value": 1.992
},
{
"type": "R(pim)",
"value": 0.936
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.281
}
]
},
{
"resolution_limits": [69.350,7.780],
"number_observations": 3224,
"number_observations_unique": 524,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.053
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 58.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}