Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "1770ea3c32a64061a1998897c4d89fd8",
"space_group_name": "P 43",
"unit_cell": {
"a": 88.774,
"b": 88.774,
"c": 39.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.88557],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.390,1.000],
"number_observations": 1042281,
"number_observations_unique": 165089,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 16.750
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.313
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.060,1.000],
"number_observations": 146328,
"number_observations_unique": 26226,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.050
},
{
"type": "R(meas)",
"value": 1.159
},
{
"type": "I/SigI",
"value": 1.230
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.580
},
{
"type": "CC(1/2)",
"value": 0.714
}
]
},
{
"resolution_limits": [1.130,1.060],
"number_observations": 158269,
"number_observations_unique": 25050,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.506
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "I/SigI",
"value": 2.860
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.318
},
{
"type": "CC(1/2)",
"value": 0.931
}
]
},
{
"resolution_limits": [1.230,1.130],
"number_observations": 154144,
"number_observations_unique": 23339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.275
},
{
"type": "R(meas)",
"value": 0.299
},
{
"type": "I/SigI",
"value": 5.390
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.605
},
{
"type": "CC(1/2)",
"value": 0.979
}
]
},
{
"resolution_limits": [1.340,1.230],
"number_observations": 136856,
"number_observations_unique": 21473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "I/SigI",
"value": 8.740
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.373
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [1.500,1.340],
"number_observations": 131735,
"number_observations_unique": 19475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 15.120
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.764
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
{
"resolution_limits": [1.730,1.500],
"number_observations": 111048,
"number_observations_unique": 17227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 26.660
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.446
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [2.120,1.730],
"number_observations": 94090,
"number_observations_unique": 14587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 42.030
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.450
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [3.000,2.120],
"number_observations": 69463,
"number_observations_unique": 11315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 53.020
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.139
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
{
"resolution_limits": [44.390,3.000],
"number_observations": 40348,
"number_observations_unique": 6397,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 59.640
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.307
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}