Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87fbb4cf22653e3210d74ae9b5e28861",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 64.495,
"b": 82.839,
"c": 104.842,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.780,2.230],
"number_observations": 186701,
"number_observations_unique": 28056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.144
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 16012,
"number_observations_unique": 2429,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.346
},
{
"type": "R(meas)",
"value": 1.459
},
{
"type": "R(pim)",
"value": 0.555
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 94.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.616
}
]
},
{
"resolution_limits": [45.780,8.910],
"number_observations": 2993,
"number_observations_unique": 511,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}