Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "36e63311e50eca89813824efed556e55",
"space_group_name": "P 1",
"unit_cell": {
"a": 95.170,
"b": 95.310,
"c": 127.196,
"alpha": 86.56,
"beta": 102.54,
"gamma": 102.44
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.890,2.900],
"number_observations": 207713,
"number_observations_unique": 92941,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 7.240
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.235
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.970,2.900],
"number_observations": 15790,
"number_observations_unique": 6869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.491
},
{
"type": "R(meas)",
"value": 0.645
},
{
"type": "I/SigI",
"value": 2.060
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.299
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [3.060,2.970],
"number_observations": 15304,
"number_observations_unique": 6700,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.396
},
{
"type": "R(meas)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.284
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [3.150,3.060],
"number_observations": 15214,
"number_observations_unique": 6715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.308
},
{
"type": "R(meas)",
"value": 0.406
},
{
"type": "I/SigI",
"value": 3.030
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.266
},
{
"type": "CC(1/2)",
"value": 0.910
}
]
},
{
"resolution_limits": [3.250,3.150],
"number_observations": 15230,
"number_observations_unique": 6810,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 3.380
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.236
},
{
"type": "CC(1/2)",
"value": 0.927
}
]
},
{
"resolution_limits": [3.370,3.250],
"number_observations": 14900,
"number_observations_unique": 6714,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.216
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "I/SigI",
"value": 4.020
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.219
},
{
"type": "CC(1/2)",
"value": 0.945
}
]
},
{
"resolution_limits": [3.510,3.370],
"number_observations": 14047,
"number_observations_unique": 6612,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.157
},
{
"type": "R(meas)",
"value": 0.208
},
{
"type": "I/SigI",
"value": 4.970
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.124
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [3.670,3.510],
"number_observations": 13896,
"number_observations_unique": 6678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "I/SigI",
"value": 5.910
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.081
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
{
"resolution_limits": [3.870,3.670],
"number_observations": 14265,
"number_observations_unique": 6650,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.136
},
{
"type": "I/SigI",
"value": 6.820
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 2.145
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [4.120,3.870],
"number_observations": 15851,
"number_observations_unique": 6719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 8.570
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 2.359
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
{
"resolution_limits": [4.450,4.120],
"number_observations": 15252,
"number_observations_unique": 6580,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 10.570
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.318
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
{
"resolution_limits": [4.900,4.450],
"number_observations": 15255,
"number_observations_unique": 6613,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.057
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "I/SigI",
"value": 11.430
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 2.307
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [5.630,4.900],
"number_observations": 14882,
"number_observations_unique": 6589,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 10.650
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 2.259
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
{
"resolution_limits": [6.870,5.630],
"number_observations": 12074,
"number_observations_unique": 5715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "I/SigI",
"value": 10.280
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 2.113
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
{
"resolution_limits": [8.700,6.870],
"number_observations": 7751,
"number_observations_unique": 3557,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 14.330
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.179
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
{
"resolution_limits": [11.180,8.700],
"number_observations": 4280,
"number_observations_unique": 1809,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 20.120
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 2.366
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [16.310,11.180],
"number_observations": 2616,
"number_observations_unique": 1115,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 21.560
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.346
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [26.100,16.310],
"number_observations": 880,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 21.180
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 2.262
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
{
"resolution_limits": [46.890,26.100],
"number_observations": 226,
"number_observations_unique": 107,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.020
},
{
"type": "R(meas)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 22.300
},
{
"type": "Completeness",
"value": 82.300
},
{
"type": "Redundancy",
"value": 2.112
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}