Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "24c852bd2419b92b15315c5836115834",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.585,
"b": 62.637,
"c": 59.645,
"alpha": 90.00,
"beta": 90.54,
"gamma": 90.00
},
"wavelengths": [0.95365],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.190,1.200],
"number_observations": 417805,
"number_observations_unique": 60488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 19.500
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 15754,
"number_observations_unique": 2631,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "R(meas)",
"value": 0.378
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 3.900
},
{
"type": "Completeness",
"value": 85.200
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.938
}
]
},
{
"resolution_limits": [43.190,6.570],
"number_observations": 2709,
"number_observations_unique": 406,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 54.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}