Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b00d46bfe32d8407e42e780f341d7ae6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 48.360,
"b": 201.726,
"c": 60.543,
"alpha": 90.00,
"beta": 113.49,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.620,2.350],
"number_observations": 307728,
"number_observations_unique": 44063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.254
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.430,2.350],
"number_observations": 29776,
"number_observations_unique": 4328,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.542
},
{
"type": "R(meas)",
"value": 1.667
},
{
"type": "R(pim)",
"value": 0.629
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.512
}
]
},
{
"resolution_limits": [33.620,9.100],
"number_observations": 5331,
"number_observations_unique": 778,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 21.800
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}