Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d094a03b024ce876de25e493623a7a37",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 84.796,
"b": 79.569,
"c": 85.295,
"alpha": 90.00,
"beta": 109.13,
"gamma": 90.00
},
"wavelengths": [0.97860],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.930,2.300],
"number_observations": 156289,
"number_observations_unique": 47456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.700
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 13418,
"number_observations_unique": 4648,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.247
},
{
"type": "R(pim)",
"value": 0.139
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [41.930,8.910],
"number_observations": 2529,
"number_observations_unique": 838,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.021
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 43.900
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}