Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2e6433979d585fd8cfc695542b7a1b16",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.060,
"b": 96.765,
"c": 58.129,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.060,1.800],
"number_observations": 133695,
"number_observations_unique": 21454,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.800],
"number_observations": 3158,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.130
},
{
"type": "R(meas)",
"value": 1.292
},
{
"type": "R(pim)",
"value": 0.607
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 66.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.615
}
]
},
{
"resolution_limits": [29.060,8.990],
"number_observations": 1231,
"number_observations_unique": 205,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}