Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "861838ec7ebee30fd2018f1c7d19449b",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 38.67,
"b": 67.76,
"c": 103.96,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.240,1.840],
"number_observations": 126541,
"number_observations_unique": 24397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 16.810
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.187
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.840],
"number_observations_unique": 1782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.577
},
{
"type": "R(meas)",
"value": 0.640
},
{
"type": "I/SigI",
"value": 2.510
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.311
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [1.940,1.880],
"number_observations_unique": 1764,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.448
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "I/SigI",
"value": 3.270
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.202
},
{
"type": "CC(1/2)",
"value": 0.911
}
]
},
{
"resolution_limits": [2.040,1.940],
"number_observations_unique": 2871,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.300
},
{
"type": "R(meas)",
"value": 0.338
},
{
"type": "I/SigI",
"value": 4.720
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.857
},
{
"type": "CC(1/2)",
"value": 0.955
}
]
},
{
"resolution_limits": [2.240,2.040],
"number_observations_unique": 4342,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.161
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 9.050
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.291
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [8.000,2.240],
"number_observations_unique": 13307,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 25.120
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 5.221
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [14.000,8.000],
"number_observations_unique": 265,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 39.210
},
{
"type": "Completeness",
"value": 93.000
},
{
"type": "Redundancy",
"value": 4.623
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [17.000,14.000],
"number_observations_unique": 31,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 41.060
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 4.903
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [50.000,17.000],
"number_observations_unique": 35,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 32.090
},
{
"type": "Completeness",
"value": 77.800
},
{
"type": "Redundancy",
"value": 3.914
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}