Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2d05860e971070ff779281c9e0b181b7",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.661,
"b": 45.326,
"c": 83.385,
"alpha": 90.00,
"beta": 102.27,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.430,1.810],
"number_observations": 143982,
"number_observations_unique": 41973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 10457,
"number_observations_unique": 3071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.751
},
{
"type": "R(meas)",
"value": 0.891
},
{
"type": "R(pim)",
"value": 0.473
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [28.430,8.090],
"number_observations": 1758,
"number_observations_unique": 515,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}