Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bde9c0e354e49a37176c561d2cab9d68",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.924,
"b": 151.386,
"c": 107.476,
"alpha": 90.00,
"beta": 90.62,
"gamma": 90.00
},
"wavelengths": [0.98450],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.1105,2.100],
"number_observations_unique": 109241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.183
},
{
"type": "R(meas)",
"value": 0.206
},
{
"type": "R(pim)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 25060,
"number_observations_unique": 5387,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.533
},
{
"type": "R(meas)",
"value": 2.849
},
{
"type": "R(pim)",
"value": 1.294
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.275
}
]
},
{
"resolution_limits": [49.100,11.500],
"number_observations": 3379,
"number_observations_unique": 690,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}