Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4531934b549c3aa9a528f9c4441a1810",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.612,
"b": 52.920,
"c": 44.447,
"alpha": 90.00,
"beta": 102.76,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [33.730,1.690],
"number_observations": 89173,
"number_observations_unique": 28098,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 6.000
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 3755,
"number_observations_unique": 1381,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.503
},
{
"type": "R(meas)",
"value": 1.889
},
{
"type": "R(pim)",
"value": 1.125
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.261
}
]
},
{
"resolution_limits": [33.730,9.100],
"number_observations": 681,
"number_observations_unique": 196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 19.000
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}