Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "dea574e9aaef4ea761c4f2b084420fee",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.152,
"b": 62.918,
"c": 74.295,
"alpha": 90.00,
"beta": 126.58,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.990,1.910],
"number_observations": 138831,
"number_observations_unique": 33590,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 10.800
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.950,1.910],
"number_observations": 7365,
"number_observations_unique": 1966,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.744
},
{
"type": "R(meas)",
"value": 0.861
},
{
"type": "R(pim)",
"value": 0.427
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 86.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.710
}
]
},
{
"resolution_limits": [47.990,8.940],
"number_observations": 1221,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 27.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}