Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1a95bedb16495137767b7bd69cc154d9",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.446,
"b": 46.362,
"c": 63.255,
"alpha": 90.00,
"beta": 112.02,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.360,1.800],
"number_observations": 131102,
"number_observations_unique": 29330,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.079
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 11.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 7598,
"number_observations_unique": 1720,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.825
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.728
}
]
},
{
"resolution_limits": [46.360,9.000],
"number_observations": 1136,
"number_observations_unique": 259,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 29.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}