Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9efe2ef3a2681432979d906db7d8ddb2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 117.553,
"b": 62.562,
"c": 74.347,
"alpha": 90.00,
"beta": 126.52,
"gamma": 90.00
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.850,1.700],
"number_observations": 196142,
"number_observations_unique": 47703,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 9111,
"number_observations_unique": 2369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.754
},
{
"type": "R(meas)",
"value": 0.870
},
{
"type": "R(pim)",
"value": 0.428
},
{
"type": "I/SigI",
"value": 1.800
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.631
}
]
},
{
"resolution_limits": [47.850,8.990],
"number_observations": 1189,
"number_observations_unique": 336,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.023
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 52.800
},
{
"type": "Completeness",
"value": 96.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}