Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7944a5cb59dec3684ade2f7572e5e4d6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 52.13,
"b": 82.63,
"c": 94.13,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91920],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.930,2.150],
"number_observations": 143463,
"number_observations_unique": 22826,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 12240,
"number_observations_unique": 1946,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.662
},
{
"type": "R(meas)",
"value": 2.907
},
{
"type": "R(pim)",
"value": 1.155
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.267
}
]
},
{
"resolution_limits": [39.930,8.860],
"number_observations": 2064,
"number_observations_unique": 385,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}