Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5637ae7288ef3cc1399fc1b747e615fb",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 35.804,
"b": 144.174,
"c": 77.523,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97624],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.760,2.000],
"number_observations": 183431,
"number_observations_unique": 14044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations_unique": 1005,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.649
},
{
"type": "R(meas)",
"value": 0.675
},
{
"type": "R(pim)",
"value": 0.185
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.951
}
]
},
{
"resolution_limits": [38.760,8.940],
"number_observations_unique": 191,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.081
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 11.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [38.76,2.00],
"number_observations_unique": 14044,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.130
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}