Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38e0e8aa0618d0402b7e2ba339de1793",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.166,
"b": 153.241,
"c": 54.422,
"alpha": 90.00,
"beta": 109.41,
"gamma": 90.00
},
"wavelengths": [1.07200],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,3.000],
"number_observations": 69453,
"number_observations_unique": 13199,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "R(meas)",
"value": 0.241
},
{
"type": "R(pim)",
"value": 0.104
},
{
"type": "I/SigI",
"value": 5.000
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
"refln_shells": [
{
"resolution_limits": [3.110,3.000],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.910
},
{
"type": "R(meas)",
"value": 1.033
},
{
"type": "R(pim)",
"value": 0.478
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.662
}
]
},
{
"resolution_limits": [3.230,3.110],
"number_observations_unique": 1320,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.757
},
{
"type": "R(meas)",
"value": 0.848
},
{
"type": "R(pim)",
"value": 0.375
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.749
}
]
},
{
"resolution_limits": [3.380,3.230],
"number_observations_unique": 1329,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.590
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.286
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [3.560,3.380],
"number_observations_unique": 1281,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.490
},
{
"type": "R(meas)",
"value": 0.553
},
{
"type": "R(pim)",
"value": 0.250
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [3.780,3.560],
"number_observations_unique": 1307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.418
},
{
"type": "R(meas)",
"value": 0.464
},
{
"type": "R(pim)",
"value": 0.199
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.925
}
]
},
{
"resolution_limits": [4.070,3.780],
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.286
},
{
"type": "R(meas)",
"value": 0.317
},
{
"type": "R(pim)",
"value": 0.134
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
},
{
"resolution_limits": [4.480,4.070],
"number_observations_unique": 1322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "R(meas)",
"value": 0.182
},
{
"type": "R(pim)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.980
}
]
},
{
"resolution_limits": [5.130,4.480],
"number_observations_unique": 1308,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.065
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [6.460,5.130],
"number_observations_unique": 1335,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.138
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
{
"resolution_limits": [50.000,6.460],
"number_observations_unique": 1347,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}